SCHEMBL1260237

SCHEMBL1260237

CC(C)(C)OC(=O)C(O)C(=O)CCCC#N.CC(C)(C)OC(=O)C(O)CCCC(O)C#N

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL1259884 0.85 CTSK (0.34) CTSSCTSK
SCHEMBL14688156 0.85 MEN1 (0.34) CTSSCTSK
SCHEMBL1258946 0.85 MEN1 (0.34) CTSSCTSK
SCHEMBL15876359 0.81 CTSS (0.30) CTSSCTSK
SCHEMBL1259908 0.75 CTSK (0.38) CTSSCTSK
SCHEMBL27911439 0.74 MEN1 (0.34) CTSSCTSK
SCHEMBL1260235 0.74 MEN1 (0.33)
SCHEMBL29437626 0.71 CTSS (0.32) CTSSCTSK
SCHEMBL30365173 0.71 CTSS (0.32) CTSSCTSK
SCHEMBL9242626 0.68 GPR84 (0.42) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8617864-B2 Polynucleotides encoding ketoreductases for producing stereoisomerically pure statins and synthetic intermediates therefor CODEXIS, INC. (US) 2013-12-31 US disclosed
US-20130040364-A1 POLYNUCLEOTIDES ENCODING KETOREDUCTASES FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2013-02-14 US disclosed
US-8273547-B2 Engineered ketoreductases and methods for producing stereoisomerically pure statins CODEXIS, INC. (US) 2012-09-25 US disclosed
US-20110195465-A1 Compositions and Methods for Producing Stereoisomerically Pure Statins and Synthetic Intermediates Therefor CODEXIS, INC. (US) 2011-08-11 US disclosed
US-7879585-B2 Ketoreductases of Saccharomyces cerevisiae; host cells CODEXIS, INC. (US) 2011-02-01 US disclosed
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-10-09 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-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR COASY, FAR1, HMGCR CTSS 2003/4885CTSK 3212/4885

“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.