SCHEMBL1147458

SCHEMBL1147458

CC(C)(C)OC(=O)C(N)(CC(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
APP P05067 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 3/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
SRD5A2 P31213 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL1147854 0.88 CYP2C19 (0.40) CYP2C19HIF1AMAPTL3MBTL1NPC1
SCHEMBL3525214 0.87 ESR1 (0.44) CYP2C19HIF1AALDH1A1MEN1CYP1A2
SCHEMBL6647551 0.86 CYP2C19 (0.56) CYP2C19HIF1AALDH1A1MAPTKIF11
SCHEMBL27823794 0.86 CYP2C19 (0.56) CYP2C19HIF1AALDH1A1MAPTKIF11
SCHEMBL6464415 0.86 CYP2C19 (0.56) CYP2C19HIF1AALDH1A1MAPTKIF11
SCHEMBL27573423 0.85 CYP2C19 (0.40) CYP2C19HIF1AALDH1A1NPC1KIF11
SCHEMBL390625 0.85 MIF (0.50) CYP2C19HIF1AALDH1A1PPARAMAPT
SCHEMBL1147792 0.85 MIF (0.50) CYP2C19HIF1AALDH1A1PPARAMAPT
SCHEMBL6946381 0.84 CYP2C19 (0.46) CYP2C19HIF1AMAPTL3MBTL1NPC1
SCHEMBL1147825 0.84 CA1 (0.44) CYP2C19HIF1AALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1816913-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-08-15 EP claimed
WO-2006091246-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-31 WO claimed
US-20060142294-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-06-29 US claimed
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 US disclosed
US-7947682-B2 Substituted N′-pyrrolo[1,2-a]quinoxalin-4-yl-hydrazides as anti-cancer agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-05-24 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
EP-1816913-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-08-15 EP disclosed
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-10-19 US disclosed
WO-2006091246-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-31 WO disclosed
US-20060142294-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-06-29 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 (6 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-20060142294-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, LIPG CYP2C19 4720/4885HIF1A 331/4885ALDH1A1 1365/4885
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG CYP2C19 4720/4885HIF1A 331/4885ALDH1A1 1365/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 CYP2C19 4727/4885HIF1A 363/4885ALDH1A1 1558/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 CYP2C19 4727/4885HIF1A 363/4885ALDH1A1 1558/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 CYP2C19 4727/4885HIF1A 363/4885ALDH1A1 1558/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 CYP2C19 4727/4885HIF1A 363/4885ALDH1A1 1558/4885

“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.