SCHEMBL945467

SCHEMBL945467

Cc1cc(SCc2ccnc(-c3c(F)cc(F)cc3F)n2)ccc1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.49
PPARA Q07869 7/20 0.49
PPARG P37231 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL944889 0.92 PPARD (0.51) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL944128 0.87 PPARD (0.55) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL943075 0.86 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL945495 0.84 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL12909777 0.84 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL946182 0.81 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL946259 0.81 PPARD (0.57) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL945635 0.81 PPARD (0.70) PPARDPPARAPPARG
SCHEMBL12909775 0.75 PPARD (0.44) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL978946 0.75 PPARD (0.47) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184277-B1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-07-01 EP claimed
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US claimed
US-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INSTITUE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2011-01-13 US claimed
EP-2184277-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-05-12 EP claimed
EP-2184277-B1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-07-01 EP disclosed
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US disclosed
US-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INSTITUE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2011-01-13 US disclosed
EP-2184277-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-05-12 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-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885PPARG 2/4885

“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.