SCHEMBL513603

SCHEMBL513603

C=CCOC(=O)c1ccc(CBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.55
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
RHOA P61586 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL175786 0.87 SNCA (0.67) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL27559263 0.87 SNCA (0.52) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL6281110 0.84 SNCA (0.56) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL12228311 0.84 SNCA (0.56) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL10590383 0.83 SNCA (0.55) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL18148926 0.83 LOXL2 (0.56) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL10356047 0.83 SNCA (0.55) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL4433115 0.82 SNCA (0.58) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL461801 0.82 SNCA (0.61) SNCACYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL17386391 0.82 SNCA (0.61) SNCACYP3A4ALDH1A1HSD17B10TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
EP-2938612-A1 PROTEIN KINASE INHIBITORS OriBase Pharma (FR) 2015-11-04 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
WO-2014102376-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
EP-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed
US-5580865-A ELASTASE INHIBITORS; ANTIINFLAMMATORY AGENTS; DEGENERATIVE DISEASES; EMPHYSEMA, ADULT RESPIRATORY DISTRESS SYNDROME, RHEUMATIC FEVER, SPONDYLITIS, GOUT, LUPUS AND PSORIASIS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-03 US disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
EP-0564835-A2 2,2-Disubstituted cephem sulphones PHARMACIA S.p.A. (IT) 1993-10-13 EP disclosed
US-4288607-A USEFUL IN UNSATURATED POLYESTERS AND AS FIRE RETARDANTS DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed
US-4152511-A FIRE-RETARDANT MOLDING MATERIALS CONTAINING CHLORINE OR BROMINE DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1979-05-01 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 (2 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-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 SNCA 4070/4885CYP3A4 3437/4885ALDH1A1 3646/4885
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 SNCA 4397/4885CYP3A4 903/4885ALDH1A1 763/4885

“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.