SCHEMBL10004430

SCHEMBL10004430

CCOc1c(C(=O)O)n(C)c2cc(CC)n(-c3ccc(C(F)(F)F)cc3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 13/20 0.43
▸ PPARA Q07869 7/20 0.43
▸ SMO Q99835 1/20 0.41
▸ PPARD Q03181 2/20 0.36
▸ TEAD1 P28347 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD2 Q15562 1/20 0.36
▸ TEAD3 Q99594 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
SCHEMBL10003374 0.94 SMO (0.47) PPARGPPARASMOPPARDTEAD1
SCHEMBL10004461 0.90 PPARG (0.39) PPARGPPARASMOPPARDTEAD1
SCHEMBL10003872 0.90 SMO (0.40) PPARGPPARASMO
SCHEMBL10004554 0.90 HKDC1 (0.39) PPARGPPARASMO
SCHEMBL10004814 0.89 PPARG (0.40) PPARGPPARASMO
SCHEMBL10004667 0.88 MEN1 (0.43) PPARGPPARA
SCHEMBL10004618 0.87 SMO (0.51) PPARGPPARASMO
SCHEMBL10003908 0.86 SMO (0.47) PPARGPPARASMO
SCHEMBL10003740 0.85 SMO (0.45) SMO
SCHEMBL10003999 0.85 SMO (0.46) 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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