SCHEMBL3616230

SCHEMBL3616230

CC(C)(C)OC(=O)N1CCCC([C@@](C)(O)c2cccc(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ REN P00797 8/20 0.44
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ ACKR3 P25106 1/20 0.43

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
SCHEMBL13502918 1.00 STS (0.48) STSUSP30TP53MAPTANO1
SCHEMBL3616231 1.00 STS (0.48) STSUSP30TP53MAPTANO1
SCHEMBL8236292 0.91 STS (0.48) STSUSP30TP53MAPTANO1
SCHEMBL3610871 0.87 REN (0.52) STSTP53ANO1REN
SCHEMBL3612263 0.87 REN (0.52) STSTP53ANO1REN
SCHEMBL28775623 0.86 REN (0.45) REN
SCHEMBL28775622 0.86 REN (0.45) REN
SCHEMBL13502922 0.85 REN (0.54) REN
SCHEMBL3608171 0.84 REN (0.64) REN
SCHEMBL3611603 0.84 REN (0.53) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 — — EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 — — US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 — — EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 — — 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 STS 346/4885USP30 553/4885TP53 1007/4885

“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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