SCHEMBL6153688

SCHEMBL6153688

CC(C)(C)OC(=O)Nc1ccc(Br)c(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
IDH1 O75874 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
GSTO1 P78417 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP17A1 P05093 2/20 0.40

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
SCHEMBL2347463 0.89 EPHX2 (0.49) EPHX2ALDH1A1GAACA12CA1
SCHEMBL22919868 0.85 EPHX2 (0.47) EPHX2ALDH1A1GAACA12CA1
SCHEMBL31341992 0.85 ALDH1A1 (0.56) ALDH1A1GAACA12CA1CA9
SCHEMBL2072185 0.85 ALDH1A1 (0.56) ALDH1A1GAACA12CA1CA9
SCHEMBL29362736 0.83 ALDH1A1 (0.51) EPHX2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14744283 0.83 ALDH1A1 (0.51) EPHX2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23118871 0.82 EPHX2 (0.69) EPHX2ALDH1A1GAACA12CA1
SCHEMBL29792603 0.82 EPHX2 (0.69) EPHX2ALDH1A1GAACA12CA1
SCHEMBL15168933 0.81 EPHX2 (0.51) EPHX2ALDH1A1GAACYP1A2CYP2C9
SCHEMBL30135043 0.81 AAK1 (0.55) CA12CA1CA9HDAC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited 2013-08-15 US disclosed
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (4 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-20130210796-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 EPHX2 2950/4885ALDH1A1 2584/4885GAA 1370/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 EPHX2 2950/4885ALDH1A1 2584/4885GAA 1370/4885
US-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 EPHX2 1186/4885ALDH1A1 2454/4885GAA 2875/4885
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA EPHX2 2234/4885ALDH1A1 967/4885GAA 3164/4885

“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.