SCHEMBL12480436

SCHEMBL12480436

CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2ccc(C(=O)O)c(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.65
MGLL Q99685 1/20 0.52
STS P08842 1/20 0.51

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
SCHEMBL15051134 0.85 STS (0.69) TGFBR1MGLLSTS
SCHEMBL14695860 0.82 TGFBR1 (0.79) TGFBR1
SCHEMBL14707196 0.81 TGFBR1 (0.77) TGFBR1
SCHEMBL10194489 0.81 ACACB (0.71) TGFBR1
SCHEMBL16826195 0.81 TGFBR1 (0.64) TGFBR1MGLLSTS
SCHEMBL7664865 0.81 TGFBR1 (0.64) TGFBR1MGLL
SCHEMBL5726000 0.81 TGFBR1 (0.64) TGFBR1MGLLSTS
SCHEMBL14696176 0.80 TGFBR1 (0.79) TGFBR1
SCHEMBL12481134 0.80 MGLL (0.48) TGFBR1MGLL
SCHEMBL14696261 0.79 TGFBR1 (0.77) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321261-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2020-06-17 EP disclosed
EP-3321261-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2018-05-16 EP disclosed
EP-2661425-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2018-02-28 EP disclosed
EP-2661425-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2018-02-28 EP disclosed
US-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2017-12-07 US disclosed
US-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2017-12-07 US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 US disclosed
EP-2661425-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2013-11-13 EP disclosed
WO-2012094328-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS, INC. (US) 2012-07-12 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 (2 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-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 TGFBR1 511/4885MGLL 4542/4885STS 3977/4885
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 TGFBR1 511/4885MGLL 4542/4885STS 3977/4885

“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.