SCHEMBL1303759

SCHEMBL1303759

COc1ccc(C(=O)C(Br)Cc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
LDHA P00338 1/20 0.50
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
SSTR3 P32745 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
FFAR1 O14842 1/20 0.46
GAA P10253 2/20 0.46
MAOB P27338 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FPR2 P25090 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
GSK3B P49841 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
SCHEMBL1303238 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2LDHAKMT2AFPR2
SCHEMBL1303872 0.81 MAPT (0.56) ALDH1A1CYP1A2KMT2AGAAMAOB
SCHEMBL27719934 0.80 RAB9A (0.56) ALDH1A1CYP1A2KMT2A
SCHEMBL11266044 0.80 MDM2 (0.51) ALDH1A1KMT2ALMNA
SCHEMBL5752926 0.79 LDHA (0.52) ALDH1A1LDHAKMT2ALMNATAS2R14
SCHEMBL3098768 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2KMT2ALMNAFFAR1
SCHEMBL2097664 0.77 ALDH1A1 (0.60) ALDH1A1CYP1A2KMT2ALMNAGSK3B
SCHEMBL5748284 0.77 LDHA (0.71) ALDH1A1CYP1A2LDHAKMT2AFFAR1
SCHEMBL1304165 0.76 NPC1 (0.53) ALDH1A1KMT2ALMNAGAAMAOB
SCHEMBL3085006 0.76 LDHA (0.49) ALDH1A1LDHAKMT2ALMNATAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2114/4885CYP1A2 603/4885LDHA 2887/4885

“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.