SCHEMBL1303034

SCHEMBL1303034

COc1ccc(C(=O)C(Br)CC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
EPHX2 P34913 2/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.45
CTSS P25774 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MDM2 Q00987 1/20 0.44
MAPT P10636 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL6699183 0.81 PARP15 (0.54) POLBALDH1A1NPC1RAB9AMAPT
SCHEMBL6701768 0.81 POLB (0.50) POLBEPHX2ALDH1A1NPC1RAB9A
SCHEMBL2097664 0.76 ALDH1A1 (0.60) POLBALDH1A1CYP1A2MAPK1NPC1
SCHEMBL3104440 0.75 ALDH1A1 (0.50) POLBEPHX2ALDH1A1CTSSSMN1; SMN2
SCHEMBL514175 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A2MAPK1RAB9ASMN1; SMN2
SCHEMBL25174226 0.73 ALDH1A1 (0.57) ALDH1A1CYP1A2MAPK1NPC1RAB9A
SCHEMBL5060223 0.73 ALDH1A1 (0.61) POLBALDH1A1CYP1A2MAPK1NPC1
SCHEMBL4932919 0.73 SLC6A2 (0.57) ALDH1A1CYP1A2MAPK1RAB9ASMN1; SMN2
SCHEMBL10918323 0.73 POLB (0.60) POLBEPHX2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL25545681 0.73 ALDH1A1 (0.57) ALDH1A1CYP1A2MAPK1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP disclosed
EP-2772488-A1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China (CN) 2014-09-03 EP disclosed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP disclosed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US disclosed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US disclosed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 EP 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 (1 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-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF CETP, PLTP, MTTP POLB 1698/4885EPHX2 1156/4885ALDH1A1 2114/4885

“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.