SCHEMBL13633783

SCHEMBL13633783

Cc1nc(-c2ccc(-c3ccccc3)s2)oc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
GAA P10253 2/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
KDM4E B2RXH2 4/20 0.39
FBP1 P09467 1/20 0.39
NR3C2 P08235 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL13633891 0.81 PPARG (0.52) PPARGPPARAGAACYP2E1CYP3A4
SCHEMBL13633786 0.80 ALDH1A1 (0.46) PPARGPPARAGAAKDM4ENPC1
SCHEMBL436384 0.80 GAA (0.57) GAAKDM4ENPC1RAB9AHPGD
SCHEMBL14431592 0.77 GAA (0.54) GAAKDM4ENPC1RAB9AHPGD
SCHEMBL13633784 0.76 ALDH1A1 (0.43) CYP2A6KDM4ERAB9AHPGDALDH1A1
SCHEMBL13633873 0.76 MAPT (0.39) PPARGGAAKDM4ENPC1RAB9A
SCHEMBL25026546 0.73 NPC1 (0.47) GAACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL13633894 0.72 IKBKB (0.55) PPARGPPARACYP2A6HSD17B1HSD17B2
SCHEMBL26745168 0.71 NPC1 (0.45) GAACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL498650 0.71 HSD17B1 (0.65) PPARGCYP2E1CYP3A4CYP2A6CYP2C9

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-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PPARG 2043/4885PPARA 2339/4885GAA 265/4885

“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.