SCHEMBL3896907

SCHEMBL3896907

COC(=O)Cc1ccccc1N1CCCC(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.53
PPARA Q07869 14/20 0.53
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PPARG P37231 4/20 0.45
PPARD Q03181 3/20 0.45
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL3905841 0.92 PPARA (0.57) CHRM4PPARANPC1ALDH1A1GAA
SCHEMBL3892372 0.90 PPARA (0.65) CHRM4PPARAGAAPPARGPPARD
SCHEMBL5487834 0.85 PPARA (0.60) CHRM4PPARANPC1ALDH1A1GAA
SCHEMBL3896903 0.83 NPC1 (0.44) CHRM4PPARANPC1ALDH1A1GAA
SCHEMBL3890236 0.83 PPARA (0.63) CHRM4PPARAGAAPPARGPPARD
SCHEMBL3888967 0.83 PPARA (0.68) CHRM4PPARANPC1GAAPPARG
SCHEMBL3892378 0.83 PPARA (0.68) CHRM4PPARANPC1GAAPPARG
SCHEMBL3888972 0.83 PPARA (0.68) CHRM4PPARANPC1GAAPPARG
SCHEMBL5489160 0.79 FFAR1 (0.39) CHRM4PPARANPC1ALDH1A1GAA
SCHEMBL3889698 0.78 PPARA (0.64) CHRM4PPARAGAAPPARGPPARD

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-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1862464-A1 NOVEL CYCLIC AMINOPHENYLALKANOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-12-05 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-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative PPARA, PPARD, PPARG CHRM4 2809/4885PPARA 1/4885NPC1 704/4885

“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.