SCHEMBL7056620

SCHEMBL7056620

Cc1c(O)ccc(C#N)c1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.47
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TSHR P16473 1/20 0.39
UPP1 Q16831 1/20 0.38
SNCA P37840 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
PGR P06401 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL1585098 0.84 AR (0.52) ARTSHRUPP1
SCHEMBL6895215 0.84 AR (0.37) ARESR1ESR2TSHRUPP1
SCHEMBL10742861 0.80 AR (0.40) ARESR1ESR2TSHRUPP1
SCHEMBL1930255 0.80 AR (0.53) ARPGR
SCHEMBL998935 0.80 AR (0.38) ARESR1ESR2TSHRUPP1
SCHEMBL29451048 0.79 TRPA1 (0.50) ARESR1ESR2TSHRTRPA1
SCHEMBL2137032 0.79 TRPA1 (0.50) ARESR1ESR2TSHRTRPA1
SCHEMBL13981332 0.76 TRPA1 (0.36) ARESR1ESR2TRPA1ATM
SCHEMBL21425352 0.76 ESR1 (0.44) ARESR1ESR2TSHRSNCA
SCHEMBL17442944 0.76 AR (0.35) ARESR1ESR2TSHRUPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597702-B2 Substituted pyrazoles FFA4/GPR120 receptor agonists GOLGI NEUROSCIENCES S.R.L. (IT) 2023-03-07 US disclosed
US-20210087148-A1 SUBSTITUTED PYRAZOLES FFA4/GPR120 RECEPTOR AGONISTS GOLGI NEUROSCIENCES S.R.L. (IT) 2021-03-25 US disclosed
EP-3765446-A1 SUBSTITUTED PYRAZOLES FFA4/GPR120 RECEPTOR AGONISTS AXXAM S.p.A. (IT) 2021-01-20 EP disclosed
CN-111868035-A Substituted pyrazole FFA4/GPR120 receptor agonists 阿克萨姆股份公司 2020-10-30 CN disclosed
WO-2019175152-A1 SUBSTITUTED PYRAZOLES FFA4/GPR120 RECEPTOR AGONISTS AXXAM S.P.A. (IT) 2019-09-19 WO disclosed
CN-103373965-B The preparation method of etravirine and intermediate thereof SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) 2016-04-27 CN disclosed
CN-102675220-B Etravirine preparing method and intermediate of etravirine PHARMABLOCK NANJING R & D CO LTD 2014-03-19 CN disclosed
CN-103373965-A Preparation methods of etravirine and intermediate body thereof SHANGHAI DESANO PHARMACEUTICAL CO LTD 2013-10-30 CN disclosed
CN-101553483-B 2-(piperidin-4-yl)-4-phenoxy-or phenylamino-pyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE 2013-04-17 CN disclosed
CN-102675220-A Etravirine preparing method and intermediate of etravirine NANJING REMEDIES DRUG RES & DEV CO LTD 2012-09-19 CN disclosed
CN-1934071-A Carboxamide derivatives useful as adrenergic receptors PFIZER LTD (US) 2007-03-21 CN disclosed
CN-1910143-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 CN disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
EP-0413289-A2 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1991-02-20 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 (2 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-20210087148-A1 SUBSTITUTED PYRAZOLES FFA4/GPR120 RECEPTOR AGONISTS FFAR4, FFAR3, FFAR1 AR 610/4885ESR1 1331/4885ESR2 679/4885
US-11597702-B2 Substituted pyrazoles FFA4/GPR120 receptor agonists FFAR4, FFAR3, FFAR1 AR 610/4885ESR1 1331/4885ESR2 679/4885

“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.