SCHEMBL2977709

SCHEMBL2977709

CCOC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
CASP3 P42574 2/20 0.50
KMT2A Q03164 2/20 0.47
MDM2 Q00987 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PTPN1 P18031 1/20 0.46
TNF P01375 1/20 0.46

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
SCHEMBL2977711 1.00 MDM4 (0.50) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29480473 0.96 PTPN1 (0.51) MDM4TP53PTPN1
SCHEMBL28468556 0.92 BACE1 (0.50) MDM4TP53CASP3KMT2APTPN1
SCHEMBL28468555 0.92 BACE1 (0.50) MDM4TP53CASP3KMT2APTPN1
SCHEMBL29516104 0.92 BACE1 (0.50) MDM4TP53CASP3KMT2APTPN1
SCHEMBL5887246 0.91 MDM2 (0.49) MDM4TP53CASP3KMT2AMDM2
SCHEMBL2856784 0.91 MDM4 (0.45) MDM4TP53CASP3KMT2APTPN1
SCHEMBL5887250 0.91 MDM2 (0.49) MDM4TP53CASP3KMT2AMDM2
SCHEMBL5887396 0.91 MDM2 (0.49) MDM4TP53CASP3KMT2AMDM2
SCHEMBL5887391 0.91 MDM2 (0.49) MDM4TP53CASP3KMT2AMDM2

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 MDM4 2358/4885TP53 1936/4885CASP3 1515/4885
US-20050020849-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids ADH5, ADH1C, TST MDM4 2520/4885TP53 2175/4885CASP3 1733/4885
US-20060293536-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids ADH5, ADH1C, TST MDM4 2520/4885TP53 2175/4885CASP3 1733/4885
US-20030166963-A1 Kinetic resolutions of chiral 2-and 3-substituted carboxylic acids ADH5, ADH1C, TST MDM4 2258/4885TP53 1963/4885CASP3 1540/4885
US-20020151744-A1 Kinetic resolutions of chiral 2-and-3-substituted carboxylic acids ADH5, ADH1C, TST MDM4 2390/4885TP53 2335/4885CASP3 1502/4885

“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.