SCHEMBL3610871

SCHEMBL3610871

CCC[C@](O)(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.52
STS P08842 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ANO1 Q5XXA6 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
SCHEMBL3612263 1.00 REN (0.52) RENSTSTP53POLBANO1
SCHEMBL13502922 0.94 REN (0.54) REN
SCHEMBL12631883 0.94 REN (0.56) REN
SCHEMBL968749 0.90 REN (0.53) REN
SCHEMBL3608171 0.90 REN (0.64) REN
SCHEMBL3611603 0.90 REN (0.53) REN
SCHEMBL3608170 0.90 REN (0.64) REN
SCHEMBL968751 0.90 REN (0.53) REN
SCHEMBL1864410 0.89 REN (0.55) RENSTS
SCHEMBL973589 0.88 REN (0.66) 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 11 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-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US disclosed
US-7745631-B2 Reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in the presence of a sodium carbonate and an aprotic solvent; hydrolyzing resulting intermediate; no need for purification JUBILANT ORGANOSYS LIMITED (IN) 2010-06-29 US 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
US-20080139817-A1 Process For Producing 2-(Phenyl Methyl Thio)-3-Pyridine Carboxylic Acid JUBILANT ORGANOSYS LIMITED (IN) 2008-06-12 US disclosed
US-20080139817-A1 Process For Producing 2-(Phenyl Methyl Thio)-3-Pyridine Carboxylic Acid JUBILANT ORGANOSYS LIMITED (IN) 2008-06-12 US disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
WO-2005097748-A1 PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-10-20 WO disclosed
WO-2005097748-A1 PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-10-20 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 REN 180/4885STS 346/4885TP53 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.