SCHEMBL964534

SCHEMBL964534

COc1ccc(CNS(=O)(=O)N(CCCc2c(C)nn(C)c2-n2ccc3cc(Cl)ccc32)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
CCR2 P41597 1/20 0.36
CNR1 P21554 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
TBXA2R P21731 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
SCHEMBL966800 0.84 USP2 (0.36) ALDH1A1TP53LMNAKMT2APOLB
SCHEMBL963628 0.80 TAS2R14 (0.40) ALDH1A1CCR2PPARGPPARAPTGDR2
SCHEMBL965948 0.80 LMNA (0.34) ALDH1A1TP53LMNAKMT2A
SCHEMBL966069 0.79 OXER1 (0.34) PPARGPTGDR2LMNA
SCHEMBL965057 0.78 PTGDR2 (0.34) PPARGPTGDR2LMNA
SCHEMBL966868 0.76 SLC6A2 (0.35) PTGDR2LMNA
SCHEMBL967888 0.76 MAPK8 (0.34) PPARGPPARAPTGDR2LMNAKMT2A
SCHEMBL966098 0.76 OXER1 (0.34) PPARGPTGDR2LMNA
SCHEMBL964535 0.75 OXER1 (0.33) PTGDR2LMNA
SCHEMBL966982 0.75 PHGDH (0.34) ALDH1A1LMNAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885THRB 180/4885RECQL 3137/4885

“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.