SCHEMBL5018902

SCHEMBL5018902

CC(C)Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
PTPN7 P35236 6/20 0.43
DUSP3 P51452 6/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
EPHX1 P07099 1/20 0.40
NR3C2 P08235 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
P2RX7 Q99572 3/20 0.38
SOS1 Q07889 1/20 0.38
KIF11 P52732 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10168532 0.87 GABRA1 (0.41) ARTRPM8PTPN7DUSP3GABRA1
SCHEMBL6600224 0.85 KIF11 (0.49) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL21260712 0.85 GABRA1 (0.42) PTPN7DUSP3GABRA1GABRB2EPHX1
SCHEMBL8257360 0.84 AR (0.42) ARTRPM8PTPN7DUSP3EPHX1
SCHEMBL20132713 0.82 PTPN7 (0.40) ARTRPM8PTPN7DUSP3EPHX1
SCHEMBL13400798 0.81 GABRA1 (0.42) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL24165346 0.80 RORC (0.42) GABRA1GABRB2EPHX1HTR2AHTR2C
SCHEMBL22664374 0.80 FFAR4 (0.43) ARGABRA1GABRB2EPHX1HTR2A
SCHEMBL22664312 0.80 GABRA1 (0.41) TRPM8GABRA1GABRB2EPHX1HTR2A
SCHEMBL13863080 0.80 GABRA1 (0.41) PTPN7DUSP3GABRA1GABRB2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8673586-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2014-03-18 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 WO disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7291623-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2007-11-06 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (7 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 AR 4552/4885TRPM8 1037/4885PTPN7 3345/4885
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR AR 18/4885TRPM8 889/4885PTPN7 1461/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 AR 408/4885TRPM8 2671/4885PTPN7 2890/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 AR 286/4885TRPM8 2832/4885PTPN7 3736/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 AR 3792/4885TRPM8 3116/4885PTPN7 4659/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR AR 457/4885TRPM8 2396/4885PTPN7 2526/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 AR 3456/4885TRPM8 2181/4885PTPN7 4289/4885

“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.