SCHEMBL13633788

SCHEMBL13633788

CCc1nc(-c2cc3ccccc3s2)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
S1PR1 P21453 1/20 0.42
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2A6 P11509 3/20 0.39
APP P05067 2/20 0.39
ADRB2 P07550 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TNIK Q9UKE5 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM5 P41594 1/20 0.36
AGXT P21549 1/20 0.36
HTR2A P28223 1/20 0.35
HSD17B1 P14061 1/20 0.35

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
SCHEMBL5761525 0.87 IKBKB (0.46) IKBKBPPARGPPARAS1PR1CYP2A6
SCHEMBL4885386 0.85 PPARG (0.49) IKBKBPPARGPPARAS1PR1CYP2A6
SCHEMBL13633894 0.82 IKBKB (0.55) IKBKBPPARGPPARAS1PR1CYP2A6
SCHEMBL13633891 0.75 PPARG (0.52) PPARGPPARACYP2A6KDM4EALDH1A1
SCHEMBL13633776 0.75 ALDH1A1 (0.54) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL4885480 0.74 PPARG (0.51) IKBKBPPARGPPARAKDM4E
SCHEMBL13633793 0.73 KDM4E (0.54) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL7909907 0.72 FFAR1 (0.59) PPARGPPARA
SCHEMBL13633895 0.72 KDM4E (0.44) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL13633902 0.72 ALDH1A1 (0.42) PPARGPPARAL3MBTL1KDM4EALDH1A1

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 IKBKB 1392/4885PPARG 2043/4885PPARA 2339/4885

“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.