SCHEMBL2414573

SCHEMBL2414573

CCc1cnc(N(CCCOc2ccc(F)cc2)CCc2csc(SC(C)(C)C(=O)O)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.39
PPARA Q07869 7/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 2/20 0.36
PPARG P37231 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
POLB P06746 1/20 0.34
PPARD Q03181 4/20 0.34
CACNA1H O95180 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL2419764 0.97 PPARA (0.37) CACNA1BPPARARAB9AKDM4ESMN1; SMN2
SCHEMBL12274384 0.93 PPARA (0.38) CACNA1BPPARARAB9ASMN1; SMN2PPARG
SCHEMBL2409301 0.93 PPARA (0.39) PPARARAB9AKDM4EPPARGPOLB
SCHEMBL2415449 0.93 PPARA (0.37) PPARARAB9AKDM4ESMN1; SMN2PPARG
Hydrochloric Acid SCHEMBL2411357 0.92 PPARA (0.37) CACNA1BPPARARAB9ASMN1; SMN2PPARG
SCHEMBL2415257 0.92 PPARA (0.37) PPARARAB9APPARGPPARD
SCHEMBL2411363 0.91 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL12275277 0.90 CACNA1B (0.40) CACNA1BPPARAPPARDCACNA1H
SCHEMBL2414012 0.90 PPARA (0.38) CACNA1BPPARARAB9AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2415492 0.90 CACNA1B (0.40) CACNA1BPPARAPPARDCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG CACNA1B 2885/4885PPARA 1/4885RAB9A 2891/4885

“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.