SCHEMBL6068558

SCHEMBL6068558

COc1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
APP P05067 1/20 0.55
SYK P43405 2/20 0.49
NFE2L2 Q16236 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
SQOR Q9Y6N5 1/20 0.47
GSK3B P49841 1/20 0.47
AMY1A P0DUB6 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
GCGR P47871 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL15588476 0.89 APP (0.51) CYP2C19APPNFE2L2NPC1RAB9A
SCHEMBL30979884 0.89 APP (0.51) CYP2C19APPNFE2L2NPC1RAB9A
SCHEMBL27781767 0.88 CYP2C19 (0.58) CYP2C19APPABL1ABCB1BCR
SCHEMBL30979865 0.88 APP (0.46) CYP2C19APPSYKNFE2L2NPC1
SCHEMBL16184211 0.86 CYP2C19 (0.56) CYP2C19APPNPC1RAB9AABL1
SCHEMBL6004654 0.86 GSTP1 (0.57) CYP2C19APPNFE2L2NPC1RAB9A
SCHEMBL30979851 0.85 NFE2L2 (0.51) CYP2C19APPSYKNFE2L2NPC1
SCHEMBL11691477 0.83 SYK (0.48) CYP2C19SYKNFE2L2NPC1RAB9A
SCHEMBL12508085 0.83 CYP2C19 (0.54) CYP2C19APPSYKNPC1RAB9A
SCHEMBL6161635 0.82 STAT3 (0.48) CYP2C19APPSYKNPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 EP claimed
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US disclosed
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 EP disclosed
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 WO disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-0494419-B1 Process for the preparation of 5-(2,4-difluorophenyl)-salicylic acid ZAMBON SPA (IT) 1995-12-06 EP disclosed
US-5412143-A Process for the preparation of 5-(2,4-difluorophenyl)-salicylic acid ZAMBON GROUP S.P.A. (IT) 1995-05-02 US disclosed
US-5312975-A Process for the preparation of 5-(2,4-difluorophenyl)-salicylic acid ZAMBON GROUP S.P.A. (IT) 1994-05-17 US disclosed
EP-0494419-A2 Process for the preparation of 5-(2,4-difluorophenyl)-salicylic acid ZAMBON GROUP S.p.A. (IT) 1992-07-15 EP disclosed
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 US disclosed
US-3992459-A BIARYL COUPLING BY DIAZOTIZATION MERCK & CO., INC. (US) 1976-11-16 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 (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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 CYP2C19 712/4885APP 3746/4885SYK 232/4885

“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.