SCHEMBL3896903

SCHEMBL3896903

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CHRM4 P08173 1/20 0.44
PPARA Q07869 15/20 0.39
PPARD Q03181 6/20 0.39
NR1H4 Q96RI1 1/20 0.38
PPARG P37231 3/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3905840 0.92 PPARA (0.45) NPC1ALDH1A1GAAPPARAPPARD
SCHEMBL3892370 0.91 PPARA (0.46) NPC1ALDH1A1GAACHRM4PPARA
SCHEMBL5489160 0.87 FFAR1 (0.39) NPC1ALDH1A1GAACHRM4PPARA
SCHEMBL3896907 0.83 CHRM4 (0.53) NPC1ALDH1A1GAACHRM4PPARA
SCHEMBL2069329 0.78 PPARA (0.48) NPC1ALDH1A1GAACHRM4PPARA
SCHEMBL3892209 0.77 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL3898110 0.77 PPARA (0.35) NPC1PPARAPPARDPPARGMAPT
SCHEMBL3890824 0.76 PPARA (0.44) GAACHRM4PPARAPPARDPPARG
SCHEMBL3889698 0.76 PPARA (0.64) GAACHRM4PPARAPPARDPPARG
SCHEMBL3902306 0.76 PPARA (0.42) NPC1GAACHRM4PPARAPPARD

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 2 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
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 NPC1 704/4885ALDH1A1 335/4885GAA 1790/4885

“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.