SCHEMBL3638571

SCHEMBL3638571

COC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.46
▸ MMP13 P45452 1/20 0.43
▸ ADORA1 P30542 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ REN P00797 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL6942693 0.88 LDHA (0.54) LDHAMMP13L3MBTL1PPARGPPARA
SCHEMBL3776724 0.88 LDHA (0.54) LDHAMMP13L3MBTL1PPARGPPARA
SCHEMBL20422635 0.88 ESR1 (0.49) MMP13ADORA1ITGA4ITGB7REN
SCHEMBL20422634 0.88 ESR1 (0.49) MMP13ADORA1ITGA4ITGB7REN
SCHEMBL23279486 0.87 MEN1 (0.41) MMP13ADORA1L3MBTL1ITGA4ITGB7
SCHEMBL3777215 0.87 LDHA (0.46) LDHAMMP13ADORA1L3MBTL1HTT
SCHEMBL7906205 0.87 ADORA1 (0.44) MMP13ADORA1ITGA4ITGB7REN
SCHEMBL8362441 0.87 ADORA1 (0.51) MMP13ADORA1ITGA4ITGB7PPARG
SCHEMBL8362444 0.87 ADORA1 (0.51) MMP13ADORA1ITGA4ITGB7PPARG
SCHEMBL6992860 0.87 ADORA1 (0.41) MMP13ADORA1ITGA4ITGB7REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 — — US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 — — EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 — — 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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 LDHA 843/4885MMP13 514/4885ADORA1 1592/4885

“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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