SCHEMBL4764636

SCHEMBL4764636

CC(C(N)=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2C19 P33261 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 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
SCHEMBL67922 0.82 CA2 (0.42) MAPTHSD17B10POLBL3MBTL1CA2
SCHEMBL3995747 0.82 CES2 (0.44) MAPTHSD17B10POLBL3MBTL1CA2
SCHEMBL28239030 0.77 CES2 (0.56) MAPTL3MBTL1TSHRCES2CES1
SCHEMBL13011725 0.77 NOS3 (0.42) MAPTHSD17B10CYP2C19POLBL3MBTL1
SCHEMBL24191888 0.75 CES2 (0.48) MAPTPOLBL3MBTL1CA2CA4
SCHEMBL1827594 0.75 POLB (0.46) MAPTHSD17B10POLBCA2CA4
SCHEMBL4604853 0.73 CES2 (0.44) MAPTHSD17B10POLBL3MBTL1CA2
SCHEMBL5190770 0.71 TSHR (0.41) HSD17B10CYP2C19POLBCA2CA4
SCHEMBL52771 0.71 MEN1 (0.50) MAPTPOLBTSHRTDP1KMT2A
SCHEMBL19661980 0.71 MCL1 (0.46) MAPTHSD17B10CYP2C19POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317249-A1 DIABETES AND METABOLIC SYNDROME TREATMENT WITH A NOVEL DUAL MODULATOR OF SOLUBLE EPOXIDE HYDROLASE AND PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS The Medical College of Wisconsin, Inc. (US) 2018-05-09 EP disclosed
US-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 US disclosed
WO-2017004525-A1 DIABETES AND METABOLIC SYNDROME TREATMENT WITH A NOVEL DUAL MODULATOR OF SOLUBLE EPOXIDE HYDROLASE AND PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2017-01-05 WO disclosed
US-20160068556-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-10 US disclosed
US-9217000-B2 Targeted nitroxide agents Univerisyt of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-22 US disclosed
US-20140018317-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-01-16 US disclosed
US-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-08-16 US disclosed
EP-2001868-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 Janssen Pharmaceutica, N.V. (BE) 2008-12-17 EP disclosed
WO-2007107543-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 WO disclosed
EP-0663902-A1 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1995-07-26 EP disclosed
WO-1994007853-A1 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, METHOD OF PRODUCING THEM, INTERMEDIATE PRODUCTS FOR THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-14 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 (3 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-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS NOX1, OGG1, NOX5 MAPT 1156/4885HSD17B10 2463/4885CYP2C19 619/4885
US-20140018317-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 MAPT 2664/4885HSD17B10 3432/4885CYP2C19 2365/4885
US-20160068556-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 MAPT 2664/4885HSD17B10 3432/4885CYP2C19 2365/4885

“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.