Sugi Predict

Sugi Predict / Compounds / SCHEMBL1491633

SCHEMBL1491633

SCHEMBL1491633

NC(C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ BLM P54132 4/20 0.50
▸ CHRM2 P08172 4/20 0.50
▸ CHRM1 P11229 4/20 0.50
▸ THRB P10828 3/20 0.50
▸ PMP22 Q01453 3/20 0.50
▸ CHRM4 P08173 3/20 0.50
▸ CHRM5 P08912 3/20 0.50
▸ CHRM3 P20309 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MTOR P42345 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ CYP19A1 P11511 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 3/20 0.46

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
SCHEMBL8199654 1.00 CYP2D6 (0.50) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL1491629 1.00 CYP2D6 (0.50) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL720341 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
Cyclopentane SCHEMBL4965591 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL720740 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL720340 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL13086832 0.85 CYP19A1 (0.46) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL13086831 0.85 CYP19A1 (0.46) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL2541670 0.83 CYP2D6 (0.47) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL16789090 0.83 MEN1 (0.57) CYP2D6LMNABLMCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 — — US disclosed
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 — — EP disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 — — EP disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 — — EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 — — US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 — — US disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 — — EP disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 — — US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 — — US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 — — EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
CN-101553475-A Hydroxamic acids as inhibitors of histone deacetylase CHROMA THERAPEUTICS LTD (GB) 2009-10-07 — — CN disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 — — US disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 — — EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 — — EP disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 — — EP disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 — — EP disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO 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 (7 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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CYP2D6 464/4885LMNA 4740/4885BLM 4586/4885
US-20090215800-A1 Enzyme and Receptor Modulation CES1, HCAR1, DNPEP CYP2D6 464/4885LMNA 4740/4885BLM 4586/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CYP2D6 464/4885LMNA 4740/4885BLM 4586/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CYP2D6 464/4885LMNA 4740/4885BLM 4586/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CYP2D6 917/4885LMNA 885/4885BLM 3390/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CYP2D6 464/4885LMNA 4740/4885BLM 4586/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CYP2D6 1632/4885LMNA 1371/4885BLM 3736/4885

“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.