SCHEMBL160639

SCHEMBL160639

COc1cc[c]c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
AR P10275 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL4608928 0.82 CA1 (0.36) TSHRCA1CA2CA7CA9
SCHEMBL3695599 0.81 KIF11 (0.33)
SCHEMBL15404639 0.80 PGR (0.51) PGRARNPSR1TSHRRAB9A
SCHEMBL1066922 0.80 GPR3 (0.40) EPHX2MAPTRAB9ACYP1A2KDM4E
SCHEMBL3284666 0.79 PDK2 (0.37) MAPTALDH1A1CYP1A2PDK2KDM4E
SCHEMBL6224540 0.79 NQO1 (0.40) ARTSHRCA1CA7CA9
SCHEMBL7230309 0.78 ALDH1A1 (0.35) NPSR1CA1CA2CA7CA9
SCHEMBL1636880 0.77 PDK2 (0.40) NPSR1CA1CA2CA7CA9
SCHEMBL5583736 0.77 AR (0.51) ARL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL28008866 0.77 LTA4H (0.46) ARCA2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
WO-2024073282-A2 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP claimed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
EP-1200373-A1 METHOD FOR PRODUCING BIARYLS USING PALLADAPHOSPHACYCLOBUTANE CATALYSIS Clariant GmbH (DE) 2002-05-02 EP claimed
US-6353136-B1 SUBSTITUTED ANILINES; ONLY VERY SMALL AMOUNTS OF CATALYST ARE NECESSARY SO COSTS ARE LESS; AMINATING AN AROMATIC HALIDE WITH AN AMINE CLARIANT GMBH (DE) 2002-03-05 US claimed
EP-1083163-A2 Catalytic method for the preparation of aromatic amines using a palladaphosphacyclobutane compound as catalyst Clariant GmbH (DE) 2001-03-14 EP claimed
US-6194627-B1 REACTING HALOAROMATIC COMPOUND WITH OLEFIN IN PRESENCE OF PALLADIUM COMPOUND AS CATALYST AVENTIS RESEARCH & TECHNOLOGY GMBH & CO. KG (DE) 2001-02-27 US claimed
WO-2001004076-A1 METHOD FOR PRODUCING BIARYLS USING PALLADAPHOSPHACYCLOBUTANE CATALYSIS CLARIANT GMBH (DE) 2001-01-18 WO claimed
US-6084114-A Dipalladaphosphacyclobutanes and a process for preparing the same AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2000-07-04 US claimed
EP-0938490-A1 NEW DIPALLADAPHOSPHACYCLOBUTANES AND A PROCESS FOR PREPARING THE SAME Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-01 EP claimed
EP-0938459-A1 PROCESS FOR PREPARING AROMATIC OLEFINS BY USING PALLADAPHOSPHACYCLOBUTANES AS CATALYSTS Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-01 EP claimed
WO-1998022412-A1 PROCESS FOR PREPARING AROMATIC OLEFINS BY USING PALLADAPHOSPHACYCLOBUTANES AS CATALYSTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-05-28 WO claimed
WO-1998022485-A1 NEW DIPALLADAPHOSPHACYCLOBUTANES AND A PROCESS FOR PREPARING THE SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-05-28 WO 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 (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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 PGR 2952/4885AR 2931/4885NPSR1 688/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP PGR 2203/4885AR 1175/4885NPSR1 123/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 PGR 1996/4885AR 1874/4885NPSR1 1134/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 PGR 1996/4885AR 1874/4885NPSR1 1134/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP PGR 2227/4885AR 1147/4885NPSR1 130/4885

“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.