SCHEMBL1260192

SCHEMBL1260192

CCOC(=O)C(O)CCC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
SLC1A2 P43004 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL11499372 0.90 KMT2A (0.46) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL7055826 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL14353237 0.80 KMT2A (0.47) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL28693349 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL11109099 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL27423468 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL7055006 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL8846572 0.78 TSHR (0.35) MEN1KMT2ATSHRSLC1A2MAPT
SCHEMBL1259908 0.77 CTSK (0.38) MEN1KMT2AALDH1A1TSHRSLC1A2
SCHEMBL855064 0.77 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRHTT

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 MEN1 3582/4885KMT2A 2252/4885ALDH1A1 1942/4885

“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.