SCHEMBL5010891

SCHEMBL5010891

COC(=O)c1cccc(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
PPARG P37231 7/20 0.44
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
GLS O94925 1/20 0.41
KDM1A O60341 1/20 0.41
NTRK1 P04629 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL14587643 0.90 PPARG (0.44) PPARGALDH1A1NPC1MAPTRAB9A
SCHEMBL5010462 0.90 PPARG (0.48) PPARGKDM1ANTRK1ALDH1A1
SCHEMBL5010783 0.89 PPARG (0.45) PPARGROCK2ROCK1NTRK1ALDH1A1
SCHEMBL5010592 0.88 MAPT (0.51) PPARGROCK2ROCK1ALDH1A1MAPT
SCHEMBL5010362 0.87 PPARG (0.50) PPARGALDH1A1NPC1RAB9A
SCHEMBL5012149 0.87 PPARG (0.42) PPARGNTRK1ALDH1A1NPC1RAB9A
SCHEMBL5012134 0.87 PPARG (0.48) CCR1PPARGALDH1A1NPC1
SCHEMBL5013675 0.87 PPARG (0.48) PPARGALDH1A1MAPT
SCHEMBL5010405 0.85 PPARG (0.59) PPARGNTRK1ALDH1A1NPC1RAB9A
SCHEMBL5010635 0.85 PPARG (0.47) PPARGNTRK1ALDH1A1NPC1RAB9A

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-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL CCR1 3270/4885PPARG 706/4885ROCK2 3234/4885

“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.