SCHEMBL1550132

SCHEMBL1550132

COCCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV3 Q8NET8 2/20 0.43
FOS P01100 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PPARD Q03181 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
SMPD1 P17405 1/20 0.39
PARP1 P09874 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
SCHEMBL1549147 0.89 PPARD (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6017324 0.86 FOS (0.55) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6017188 0.81 TRPV3 (0.47) KDM4ESMN1; SMN2TRPV3FOSJUN
SCHEMBL1549045 0.80 TRPV3 (0.43) KDM4ESMN1; SMN2TRPV3FOSJUN
SCHEMBL5187779 0.79 MAPT (0.52) ALDH1A1RAB9ASMN1; SMN2TRPV3FOS
SCHEMBL1549139 0.78 PPARA (0.60) PPARDPPARGPPARA
SCHEMBL28758109 0.78 KDM4E (0.59) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1549378 0.77 NFKB1 (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1549652 0.76 TRPV3 (0.41) ALDH1A1TRPV3MAPTKMT2A
SCHEMBL1549987 0.75 PPARA (0.53) PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG ALDH1A1 886/4885KDM4E 741/4885NPC1 387/4885

“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.