SCHEMBL10004461

SCHEMBL10004461

CCc1cc2c(c(OC(C)C)c(C(=O)O)n2C)c(=O)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.39
▸ PPARA Q07869 6/20 0.39
▸ SMO Q99835 1/20 0.37
▸ PPARD Q03181 2/20 0.35
▸ TEAD1 P28347 1/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ TEAD2 Q15562 1/20 0.35
▸ TEAD3 Q99594 1/20 0.35
▸ PTGES O14684 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
SCHEMBL10004430 0.90 PPARG (0.43) PPARGPPARASMOPPARDTEAD1
SCHEMBL10004452 0.90 ADORA1 (0.38) PPARASMOPPARD
SCHEMBL10003727 0.89 HKDC1 (0.37) SMO
SCHEMBL10003374 0.88 SMO (0.47) PPARGPPARASMOPPARDTEAD1
SCHEMBL10004013 0.88 BRPF1 (0.37) PPARGSMO
SCHEMBL10004029 0.87 DRD1 (0.38) PPARG
SCHEMBL10004368 0.82 NOTUM (0.38) PPARGSMO
SCHEMBL10004618 0.81 SMO (0.51) PPARGPPARASMO
SCHEMBL10003872 0.80 SMO (0.40) PPARGPPARASMO
SCHEMBL10003908 0.80 SMO (0.47) PPARGPPARASMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH PPARG 1436/4885PPARA 1309/4885SMO 1/4885

“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.

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