SCHEMBL3612249

SCHEMBL3612249

CCC[C@](OCCOS(C)(=O)=O)(c1cccc(Cl)c1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.41
REN P00797 12/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
USP30 Q70CQ3 1/20 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
SCHEMBL3612250 1.00 STS (0.41) STSRENFNTAFNTBTP53
SCHEMBL4974456 0.90 REN (0.40) REN
SCHEMBL4976075 0.90 REN (0.41) REN
SCHEMBL3613909 0.89 REN (0.42) STSRENFNTAFNTBTP53
SCHEMBL3613911 0.89 REN (0.42) STSRENFNTAFNTBTP53
SCHEMBL3613375 0.89 REN (0.41) STSRENFNTAFNTBTP53
SCHEMBL3613379 0.89 REN (0.41) STSRENFNTAFNTBTP53
SCHEMBL3609025 0.87 FNTA (0.39) STSRENFNTAFNTBTP53
SCHEMBL3609024 0.87 FNTA (0.39) STSRENFNTAFNTBTP53
SCHEMBL3615894 0.85 REN (0.48) RENANO1USP30

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-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

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 346/4885REN 180/4885FNTA 1668/4885

“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.