SCHEMBL1014380

SCHEMBL1014380

C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 4/20 0.44
▸ POLB P06746 1/20 0.40
▸ MCL1 Q07820 5/20 0.40
▸ BCL2L1 Q07817 3/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADAM17 P78536 2/20 0.37

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
SCHEMBL4791746 1.00 BCL2 (0.44) BCL2POLBMCL1BCL2L1FAAH
SCHEMBL5570893 0.89 BCL2L1 (0.43) POLBMCL1BCL2L1FAAHCNR2
SCHEMBL3052456 0.86 CYP3A4 (0.36) —
SCHEMBL8261915 0.86 TET3 (0.39) BCL2KMT2A
SCHEMBL8270883 0.86 TET3 (0.39) BCL2KMT2A
SCHEMBL1070360 0.85 STS (0.46) MCL1ADAM17
SCHEMBL1013961 0.85 STS (0.46) MCL1ADAM17
SCHEMBL1013962 0.85 STS (0.46) MCL1ADAM17
SCHEMBL14364344 0.85 POLB (0.43) BCL2POLBMCL1BCL2L1FAAH
SCHEMBL5526525 0.84 PDE4A (0.35) BCL2POLBMCL1

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-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 — — EP disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 — — EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 — — WO disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 — — WO disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 — — 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 BCL2 878/4885POLB 419/4885MCL1 1531/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 BCL2 878/4885POLB 419/4885MCL1 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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