SCHEMBL11976410

SCHEMBL11976410

CCc1c(C(=O)NC2(c3cccs3)CC2)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.46
▸ PARG Q86W56 2/20 0.35
▸ TSHR P16473 1/20 0.32
▸ AADAT Q8N5Z0 1/20 0.32

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
SCHEMBL10316206 0.82 SMO (0.48) SMOPARG
SCHEMBL10316142 0.81 SMO (0.46) SMOPARG
SCHEMBL10316153 0.80 SMO (0.45) SMOPARG
SCHEMBL10316155 0.79 SMO (0.44) SMOPARG
SCHEMBL10004581 0.79 SMO (0.49) SMO
SCHEMBL12826288 0.79 SMO (0.51) SMO
SCHEMBL10316154 0.78 SMO (0.60) SMO
SCHEMBL11976393 0.78 SMO (0.60) SMO
SCHEMBL10004892 0.77 SMO (0.46) SMO
SCHEMBL10316144 0.77 SMO (0.49) SMOPARG

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
US-8927718-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-06 — — US disclosed
EP-2471791-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 — — EP disclosed
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 — — US disclosed
WO-2011024873-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2011-03-03 — — WO 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-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885PARG 4780/4885TSHR 2374/4885

“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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