Sugi Predict

Sugi Predict / Compounds / SCHEMBL523319

SCHEMBL523319

SCHEMBL523319

COc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESRRB O95718 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ ESRRA P11474 1/20 0.51
▸ ESRRG P62508 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ TRPV4 Q9HBA0 1/20 0.49
▸ AR P10275 9/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ PGR P06401 4/20 0.46
▸ NR3C1 P04150 3/20 0.45
▸ NR3C2 P08235 3/20 0.45
▸ KIF11 P52732 1/20 0.44

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
SCHEMBL7283993 0.87 KIF11 (0.58) ESRRBESR1ESRRAESRRGESR2
SCHEMBL3571001 0.86 AR (0.47) ESRRBESR1ESRRAESRRGESR2
SCHEMBL17654529 0.84 TRPV4 (0.55) ESRRBESR1ESRRAESRRGESR2
SCHEMBL10211666 0.84 AR (0.49) TRPV4ARPGRNR3C1NR3C2
SCHEMBL22731288 0.82 TRPV4 (0.49) ESRRBESR1ESRRAESRRGESR2
SCHEMBL512996 0.82 ESRRB (0.40) ESRRBESR1ESRRAESRRGESR2
SCHEMBL251485 0.81 CTSS (0.50) ESRRBESR1ESRRAESRRGESR2
SCHEMBL12619052 0.81 TRPV4 (0.49) ESRRBESR1ESRRAESRRGESR2
SCHEMBL10088897 0.81 CTSS (0.55) TRPV4ARCTSSCTSKMRGPRX4
SCHEMBL14499514 0.80 AR (0.48) ESRRBESR1ESRRAESRRGESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118841627-A Electrolyte additive for improving high-voltage performance, electrolyte and lithium ion battery 合肥国轩高科动力能源有限公司 2024-10-25 — — CN disclosed
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 — — EP disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 — — US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 — — EP disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 — — US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 — — US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 — — US disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 — — US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 — — EP disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 — — US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 — — US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 — — US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 — — WO disclosed
EP-1701938-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME Genfit (FR) 2006-09-20 — — EP disclosed
WO-2005073184-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2005-08-11 — — WO disclosed
US-6362372-B2 HYDROGENATION OF A TRIFLUOROBENZYLNITRILE BY HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA AND A CATALYST COMPRISING A PLATINUM GROUP ELEMENT; EXTREMELY HIGH YIELDS CENTRAL GLASS COMPANY, LIMITED (JP) 2002-03-26 — — US disclosed
US-20020007086-A1 Process for producing trifluoromethylbenzylamines CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-17 — — US disclosed
US-6175041-B1 HYDROGENATING A TRIFLUOROMETHYLBENZONITRILE WITH HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA, USING A RANEY CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 2001-01-16 — — 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 (5 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-20020007086-A1 Process for producing trifluoromethylbenzylamines IDH1, INMT, TH ESRRB 3398/4885ESR1 4365/4885ESRRA 3716/4885
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same TYR, DHPS, DDT ESRRB 2152/4885ESR1 2174/4885ESRRA 1606/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ESRRB 202/4885ESR1 433/4885ESRRA 98/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ESRRB 187/4885ESR1 407/4885ESRRA 88/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ESRRB 474/4885ESR1 1047/4885ESRRA 252/4885

“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.