SCHEMBL1015795

SCHEMBL1015795

O=C(O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ FFAR1 O14842 6/20 0.52
▸ FFAR4 Q5NUL3 3/20 0.52
▸ THRA P10827 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ RXRA P19793 3/20 0.50
▸ RXRB P28702 3/20 0.50
▸ RXRG P48443 3/20 0.50
▸ TACR1 P25103 4/20 0.48
▸ CES2 O00748 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ GPR17 Q13304 1/20 0.47

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
SCHEMBL17310946 0.89 RXRA (0.51) LMNAFFAR1FFAR4THRATHRB
SCHEMBL7812479 0.89 LMNA (0.51) LMNAFFAR1FFAR4THRATHRB
SCHEMBL30151169 0.88 FFAR4 (0.48) LMNAFFAR1FFAR4THRATHRB
SCHEMBL30151149 0.88 THRA (0.50) LMNAFFAR1FFAR4THRATHRB
SCHEMBL30151135 0.88 THRA (0.47) LMNAFFAR1FFAR4THRATHRB
SCHEMBL28484226 0.86 CES2 (0.48) LMNATHRATHRBRXRARXRB
SCHEMBL29172383 0.85 MAPT (0.53) LMNARXRARXRBRXRGTACR1
SCHEMBL14441580 0.84 RXRA (0.56) FFAR1FFAR4THRATHRBRXRA
SCHEMBL18255658 0.84 FFAR1 (0.50) LMNAFFAR1FFAR4THRATHRB
SCHEMBL3400672 0.82 IDO1 (0.46) LMNARXRARXRBRXRGTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 — — EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 — — WO claimed
US-12415939-B2 Nano-adhesive and surface primer compound and use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-16 — — US disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2022-02-22 — — US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 — — US disclosed
US-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS NOVO NORDISK A/S (DK) 2020-12-31 — — US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 — — US disclosed
US-20200181455-A1 NANO-ADHESIVE AND SURFACE PRIMER COMPOUND AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-11 — — US disclosed
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2019-10-29 — — US disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 — — EP disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 — — US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 — — US disclosed
WO-2002030912-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-04-18 — — WO disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
EP-1068244-A1 METHOD FOR PRODUCING COPOLYMERS FROM FUNCTIONALISED OLEFINICALLY UNSATURATED MONOMERS AND NON-POLAR OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-01-17 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
WO-1999047569-A1 METHOD FOR PRODUCING COPOLYMERS FROM FUNCTIONALISED OLEFINICALLY UNSATURATED MONOMERS AND NON-POLAR OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-23 — — 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 (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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 LMNA 4790/4885FFAR1 142/4885FFAR4 229/4885
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3716/4885FFAR1 3121/4885FFAR4 3742/4885
US-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS PGF, LIPA, PDGFA LMNA 868/4885FFAR1 713/4885FFAR4 697/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3716/4885FFAR1 3121/4885FFAR4 3742/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3718/4885FFAR1 3180/4885FFAR4 3852/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO LMNA 3716/4885FFAR1 3121/4885FFAR4 3742/4885
US-12415939-B2 Nano-adhesive and surface primer compound and use thereof CDH1, EPCAM, ICAM1 LMNA 3192/4885FFAR1 2341/4885FFAR4 2703/4885
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA LMNA 868/4885FFAR1 713/4885FFAR4 697/4885
US-20200181455-A1 NANO-ADHESIVE AND SURFACE PRIMER COMPOUND AND USE THEREOF CDH1, EPCAM, ICAM1 LMNA 3192/4885FFAR1 2341/4885FFAR4 2703/4885
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA LMNA 868/4885FFAR1 713/4885FFAR4 697/4885

“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.

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