SCHEMBL1147792

SCHEMBL1147792

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CYP2C19 P33261 5/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 2/20 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
SCHEMBL390625 1.00 MIF (0.50) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3525214 0.87 ESR1 (0.44) MIFCYP2C19HIF1AMEN1KMT2A
SCHEMBL6647551 0.86 CYP2C19 (0.56) CYP2C19HIF1AKMT2AMAPTALDH1A1
SCHEMBL6464415 0.86 CYP2C19 (0.56) CYP2C19HIF1AKMT2AMAPTALDH1A1
SCHEMBL27823794 0.86 CYP2C19 (0.56) CYP2C19HIF1AKMT2AMAPTALDH1A1
SCHEMBL27658141 0.86 CYP3A4 (0.41) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1147458 0.85 CYP2C19 (0.40) CYP2C19HIF1AMEN1KMT2AMAPT
SCHEMBL1147854 0.85 CYP2C19 (0.40) CYP2C19HIF1AMEN1KMT2AMAPT
SCHEMBL27573423 0.85 CYP2C19 (0.40) MIFCYP2C19HIF1AMEN1KMT2A
SCHEMBL6946381 0.84 CYP2C19 (0.46) CYP2C19HIF1AKMT2AMAPTLMNA

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
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
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO 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 MIF 3474/4885GRIN2D 4546/4885GRIN3B 2903/4885
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG MIF 3474/4885GRIN2D 4546/4885GRIN3B 2903/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 MIF 3344/4885GRIN2D 4639/4885GRIN3B 3380/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 MIF 3344/4885GRIN2D 4639/4885GRIN3B 3380/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 MIF 3344/4885GRIN2D 4639/4885GRIN3B 3380/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 MIF 3344/4885GRIN2D 4639/4885GRIN3B 3380/4885

“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.