SCHEMBL10004618

SCHEMBL10004618

CCc1cc2c(c(OCC(F)(F)F)c(C(=O)O)n2C)c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.51
▸ PPARG P37231 8/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ PPARA Q07869 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33

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 0.93 SMO (0.47) SMOPPARGPPARA
SCHEMBL10003908 0.93 SMO (0.47) SMOPPARGNOTUMPPARAMAPT
SCHEMBL10004446 0.92 SMO (0.47) SMOPPARGNOTUMALDH1A1TRPA1
SCHEMBL10003999 0.92 SMO (0.46) SMOPPARGPPARA
SCHEMBL10004932 0.90 SMO (0.50) SMOALDH1A1GAAMAPT
SCHEMBL10003906 0.88 SMO (0.48) SMOPPARGTRPA1
SCHEMBL10004814 0.88 PPARG (0.40) SMOPPARGNOTUMPPARAALDH1A1
SCHEMBL10004430 0.87 PPARG (0.43) SMOPPARGPPARA
SCHEMBL1062658 0.85 SMO (0.68) SMOALDH1A1GAAMAPT
SCHEMBL1061404 0.85 SMO (0.53) SMONOTUMALDH1A1

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 SMO 1/4885PPARG 1436/4885NOTUM 252/4885

“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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