SCHEMBL965658

SCHEMBL965658

CCNC(=O)OC1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.96
NAAA Q02083 2/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
BCHE P06276 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL967579 0.98 EPHX1 (1.00) EPHX1NAAAHTTSMN1; SMN2GAA
SCHEMBL15777906 0.96 EPHX1 (0.89) EPHX1NAAAHTTSMN1; SMN2GAA
SCHEMBL8374492 0.91
SCHEMBL19962463 0.86 EPHX1 (0.72) EPHX1NAAAHTTSMN1; SMN2GAA
SCHEMBL23200480 0.84 EPHX1 (0.70) EPHX1NAAASMN1; SMN2GAAALDH1A1
SCHEMBL18265727 0.84 EPHX1 (0.70) EPHX1NAAAGAAALDH1A1BCHE
SCHEMBL2897100 0.82 EPHX1 (0.68) EPHX1NAAAGAAALDH1A1BCHE
SCHEMBL14424470 0.82 EPHX1 (0.73) EPHX1NAAAHTTSMN1; SMN2GAA
SCHEMBL8371398 0.82 EPHX1 (0.68) EPHX1NAAAHTTGAAALDH1A1
SCHEMBL18203087 0.82 EPHX1 (0.67) EPHX1GAAALDH1A1BCHEMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
EP-3912974-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
US-11046654-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2021-06-29 US disclosed
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI 2021-06-10 US disclosed
EP-3802536-A1 N-1 BRANCHED CYCLOALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2021-04-14 EP disclosed
WO-2020147740-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
US-20190135764-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-05-09 US disclosed
US-10023541-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2018-07-17 US disclosed
EP-2890684-B1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA S A (PT) 2018-02-14 EP disclosed
US-20170101381-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2017-04-13 US disclosed
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-01-20 US disclosed
EP-2263999-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2010-12-22 EP disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC (JP) 2010-01-21 US disclosed
EP-2128139-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-02 EP disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11046654-B2 Urea compounds and their use as enzyme inhibitors ACHE, GAA, GYS2 EPHX1 3262/4885NAAA 864/4885HTT 61/4885
US-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP EPHX1 2738/4885NAAA 3423/4885HTT 2958/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ EPHX1 1691/4885NAAA 2192/4885HTT 1707/4885
US-10023541-B2 Urea compounds and their use as enzyme inhibitors ACHE, GAA, GYS2 EPHX1 3262/4885NAAA 864/4885HTT 61/4885
US-20190135764-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS ACHE, GAA, GYS2 EPHX1 3262/4885NAAA 864/4885HTT 61/4885
US-20170101381-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS ACHE, GAA, GYS2 EPHX1 3262/4885NAAA 864/4885HTT 61/4885
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME CHUK, NOTCH1, NUAK1 EPHX1 4113/4885NAAA 1735/4885HTT 3905/4885
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME AFF1, AFF2, PFAS EPHX1 2044/4885NAAA 113/4885HTT 3536/4885
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE AADAC, AFF1, AFF2 EPHX1 2813/4885NAAA 8/4885HTT 1937/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB EPHX1 3729/4885NAAA 1769/4885HTT 3911/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.