SCHEMBL2977877

SCHEMBL2977877

COC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CASP3 P42574 1/20 0.52
MDM4 O15151 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.50
TNF P01375 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL12531899 1.00 ATM (0.53) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL29401932 1.00 ATM (0.53) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL13743302 1.00 ATM (0.53) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30278721 0.92 MDM4 (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30854615 0.92 MDM4 (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL15674248 0.92 MDM4 (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL15674468 0.92 MDM4 (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL21838224 0.92 MDM4 (0.52) CASP3MDM4TP53
SCHEMBL12563729 0.92 MDM4 (0.52) CASP3MDM4TP53
SCHEMBL7984402 0.92 MDM4 (0.52) CASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767811-B2 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids BRANDEIS UNIVERSITY (US) 2010-08-03 US disclosed
US-7767811-B2 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids BRANDEIS UNIVERSITY (US) 2010-08-03 US disclosed
US-20060293536-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids BRANDEIS UNIVERSITY (US) 2006-12-28 US disclosed
US-7057038-B2 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids BRANDEIS UNIVERSITY (US) 2006-06-06 US disclosed
EP-1419125-A4 KINETIC RESOLUTIONS OF CHIRAT 3- AND 3-SUBSTITUTED CARBOXYLIC ACIDS UNIV BRANDEIS (US) 2005-03-23 EP disclosed
US-20050020849-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids DENG LI (US) 2005-01-27 US disclosed
US-6743914-B2 USING TERTIARY AMINE CATALYST BRANDEIS UNIVERSITY 2004-06-01 US disclosed
EP-1419125-A1 KINETIC RESOLUTIONS OF CHIRAT 3- AND 3-SUBSTITUTED CARBOXYLIC ACIDS Brandeis University (US) 2004-05-19 EP disclosed
EP-1305270-B1 KINETIC RESOLUTIONS OF CHIRAL 2- AND 3-SUBSTITUTED CARBOXYLIC ACIDS UNIV BRANDEIS (US) 2004-04-14 EP disclosed
US-20030166963-A1 Kinetic resolutions of chiral 2-and 3-substituted carboxylic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-04 US disclosed
US-6562967-B2 Drug screening; purity BRANDEIS UNIVERSITY 2003-05-13 US disclosed
EP-1305270-A1 KINETIC RESOLUTIONS OF CHIRAL 2- AND 3-SUBSTITUTED CARBOXYLIC ACIDS Brandeis University (US) 2003-05-02 EP disclosed
WO-2003011799-A1 KINETIC RESOLUTIONS OF CHIRAT 3- AND 3-SUBSTITUTED CARBOXYLIC ACIDS BRANDEIS UNIVERSITY (US) 2003-02-13 WO disclosed
US-20020165393-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-07 US disclosed
US-20020151744-A1 Kinetic resolutions of chiral 2-and-3-substituted carboxylic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-17 US disclosed
WO-2002010096-A1 KINETIC RESOLUTIONS OF CHIRAL 2- AND 3-SUBSTITUTED CARBOXYLIC ACIDS BRANDEIS UNIVERSITY (US) 2002-02-07 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 (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-20020165393-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids ADH5, ADH1C, TST ATM 3889/4885ALDH1A1 231/4885THRB 1061/4885
US-20050020849-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids ADH5, ADH1C, TST ATM 3767/4885ALDH1A1 154/4885THRB 367/4885
US-20060293536-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids ADH5, ADH1C, TST ATM 3767/4885ALDH1A1 154/4885THRB 367/4885
US-20030166963-A1 Kinetic resolutions of chiral 2-and 3-substituted carboxylic acids ADH5, ADH1C, TST ATM 3865/4885ALDH1A1 225/4885THRB 1116/4885
US-20020151744-A1 Kinetic resolutions of chiral 2-and-3-substituted carboxylic acids ADH5, ADH1C, TST ATM 3400/4885ALDH1A1 218/4885THRB 1117/4885

“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.