SCHEMBL1013789

SCHEMBL1013789

C=CC1CC1(NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1)C(=O)NS(=O)(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.40
▸ STS P08842 2/20 0.39
▸ MCL1 Q07820 4/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ ADAM17 P78536 1/20 0.37
▸ GHSR Q92847 2/20 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
SCHEMBL1013790 1.00 TACR1 (0.40) TACR1STSMCL1BCL2PDE4B
SCHEMBL14278109 1.00 TACR1 (0.40) TACR1STSMCL1BCL2PDE4B
SCHEMBL14278205 0.88 ADAM17 (0.37) MCL1ADAM17
SCHEMBL14278161 0.87 ADAM17 (0.35) MCL1ADAM17GHSR
SCHEMBL14278204 0.87 — —
SCHEMBL14278206 0.86 CCR1 (0.41) —
SCHEMBL14278078 0.86 MCL1 (0.37) STSMCL1ADAM17
SCHEMBL14278217 0.86 MCL1 (0.37) STSMCL1ADAM17
SCHEMBL1013961 0.85 STS (0.46) STSMCL1ADAM17
SCHEMBL1070360 0.85 STS (0.46) STSMCL1ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 — — EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 TACR1 2139/4885STS 1434/4885MCL1 1531/4885

“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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