SCHEMBL1259908

SCHEMBL1259908

CC(C)(C)OC(=O)C(O)CCC#N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.38
CTSS P25774 12/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
SLC1A2 P43004 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL12193976 0.79 CTSK (0.41) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL28655193 0.79 CTSK (0.38) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL4274595 0.79 CTSK (0.38) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL1259884 0.77 CTSK (0.34) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL1260192 0.77 MEN1 (0.47) MEN1KMT2ASLC1A2TSHRALDH1A1
SCHEMBL9242626 0.76 GPR84 (0.42) CTSKMEN1KMT2A
SCHEMBL30074519 0.76 CTSK (0.38) CTSKCTSSMEN1KMT2ATSHR
SCHEMBL12216419 0.76 TDP1 (0.36) MEN1KMT2A
SCHEMBL5216229 0.76 CTSK (0.38) CTSKCTSSMEN1KMT2ATSHR
SCHEMBL1260237 0.75 CTSS (0.30) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066788-B1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS INC (US) 2014-07-23 EP disclosed
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
EP-2066788-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR Codexis, Inc. (US) 2009-06-10 EP disclosed
US-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-10-09 US disclosed
WO-2008042876-A2 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR CODEXIS, INC. (US) 2008-04-10 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-20080248539-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE STATINS AND SYNTHETIC INTERMEDIATES THEREFOR COASY, FAR1, HMGCR CTSK 3212/4885CTSS 2003/4885MEN1 3582/4885

“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.