SCHEMBL2305693

SCHEMBL2305693

[O]c1ncccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
NFE2L2 Q16236 3/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
HSD11B1 P28845 4/20 0.39
TRPV1 Q8NER1 3/20 0.39
SLC40A1 Q9NP59 1/20 0.39
GAA P10253 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
DHODH Q02127 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
CXCL8 P10145 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 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
SCHEMBL1494212 0.77 CA2 (0.39) KMT2A
SCHEMBL8765683 0.77 CTSL (0.33) NFE2L2GAAMEN1KMT2APAX8
SCHEMBL15624412 0.76 TRPV1 (0.47) EPHX2TRPV1
SCHEMBL8436654 0.74 EPHX2 (0.44) EPHX2NFE2L2CTNNB1WNT3AHSD11B1
SCHEMBL31009386 0.74 EPHX2 (0.44) EPHX2NFE2L2CTNNB1WNT3AHSD11B1
SCHEMBL31608519 0.74 EPHX2 (0.44) EPHX2NFE2L2CTNNB1WNT3AHSD11B1
SCHEMBL610024 0.74 EPHX2 (0.44) EPHX2NFE2L2CTNNB1WNT3AHSD11B1
SCHEMBL12153212 0.73 EPHX2 (0.43) EPHX2NFE2L2CTNNB1WNT3AHSD11B1
SCHEMBL1313342 0.73 EPHX2 (0.47) EPHX2NFE2L2CTNNB1WNT3AHSD11B1
SCHEMBL171254 0.73 EPHX2 (0.43) EPHX2NFE2L2HSD11B1TRPV1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-08-08 US claimed
US-20170158681-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US claimed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 US claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
EP-0398692-B1 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI & CO (JP) 1996-08-21 EP claimed
US-5371222-A Intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 US claimed
US-5371223-A Controlling phytopathogens SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 US claimed
US-5185342-A ALKOXYIMINOACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-09 US claimed
EP-0398692-A2 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-11-22 EP claimed

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

For each of this compound's patents that has machine-readable text (6 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-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 EPHX2 3919/4885NFE2L2 1761/4885CTNNB1 4449/4885
US-20170158681-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A EPHX2 2325/4885NFE2L2 3021/4885CTNNB1 4042/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP EPHX2 2024/4885NFE2L2 3040/4885CTNNB1 1492/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 EPHX2 2805/4885NFE2L2 943/4885CTNNB1 3685/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP EPHX2 2672/4885NFE2L2 4158/4885CTNNB1 1688/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP EPHX2 2362/4885NFE2L2 3341/4885CTNNB1 2033/4885

“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.