SCHEMBL1617264

SCHEMBL1617264

COc1c(C(=O)O)cc(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL607945 0.85 HSD17B10 (0.44) HSD17B10KEAP1NFE2L2MEN1KMT2A
SCHEMBL6422815 0.85 HSD17B10 (0.44) HSD17B10KEAP1NFE2L2MEN1KMT2A
SCHEMBL5458697 0.83 HSD17B1 (0.39) HSD17B10MEN1KMT2AKDM4ELMNA
SCHEMBL27927680 0.83 HSD17B10 (0.43) HSD17B10KEAP1NFE2L2MEN1KMT2A
SCHEMBL27540803 0.82 HSD17B10 (0.50) HSD17B10KEAP1NFE2L2KDM4ETDP1
SCHEMBL28603127 0.82 KEAP1 (0.48) HSD17B10KEAP1NFE2L2KDM4ELMNA
SCHEMBL18186481 0.81 HSD17B10 (0.42) HSD17B10KEAP1NFE2L2MEN1KMT2A
SCHEMBL7182462 0.81 KDM4E (0.45) HSD17B10KEAP1NFE2L2KDM4ETDP1
SCHEMBL28937179 0.81 HSD17B10 (0.39) HSD17B10KEAP1NFE2L2MEN1KMT2A
SCHEMBL28424948 0.81 HSD17B10 (0.44) HSD17B10KEAP1NFE2L2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104844533-B Amino-propanediol class compound, preparation method and its medical usage containing five yuan of heteroaromatics 中国医学科学院药物研究所 2019-04-09 CN disclosed
CN-103705519-B Cyclic triazo and diazo sodium channel blockers 格林威治大学 2017-04-19 CN disclosed
CN-104844533-A Five-membered aromatic heterocycle-containing amino propanediol compounds, preparation method, and medical uses thereof, INST MATERIA MEDICA CAMS 2015-08-19 CN disclosed
US-9102665-B2 Cysteinyl leukotriene antagonists SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-11 US disclosed
CN-104739839-A NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIV GREENWICH 2015-07-01 CN disclosed
CN-104302623-A Piperidine compound and pest-control use therefore SUMITOMO CHEMICAL CO 2015-01-21 CN disclosed
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-06-05 US disclosed
CN-103705519-A Cyclic triazo and diazo sodium channel blockers UNIV GREENWICH 2014-04-09 CN disclosed
CN-1802091-A Use of isoindolinone derivatives as insecticides BAYER CROPSCIENCE AG (DE) 2006-07-12 CN disclosed
CN-1768054-A Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA SA (FR) 2006-05-03 CN disclosed
CN-1668576-A Tetrafluorobenzyl derivatives and pharmaceutical composition for treating and preventing acute and chronic neurodegenerative diseases of central nervous system containing the same NEUROTECH CO LTD (KR) 2005-09-14 CN disclosed
CN-1302799-A Sulfonium salt compound WAKO PURE CHEM IND LTD (JP) 2001-07-11 CN disclosed
EP-0741122-B1 Process for preparing aromatic compounds through decarboxylation of aromatic carboxylic acids CLARIANT GMBH (DE) 1999-08-25 EP disclosed
US-5739388-A Process for the preparation of aromatic compounds by decarboxylation of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0667334-B1 Process for the preparation of 4-alkoxy-3,5,6-trifluorophthalic acids and 3-alkoxy-2,4,5-trifluorobenzoic acids CLARIANT GMBH (DE) 1998-01-07 EP disclosed
EP-0741122-A1 Process for preparing aromatic compounds through decarboxylation of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-06 EP disclosed
US-5488152-A Process for the preparation of 4-alkoxy-3,5,6-trifluoro-phthalic acids and 3-alkoxy-2,4,5-trifluorobenzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-30 US disclosed
EP-0667334-A2 Process for the preparation of 4-alkoxy-3,5,6-trifluorophthalic acids and 3-alkoxy-2,4,5-trifluorobenzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-16 EP 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 (1 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-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS LTC4S, CYSLTR2, CYSLTR1 HSD17B10 1737/4885KEAP1 109/4885NFE2L2 1173/4885

“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.