SCHEMBL4274595

SCHEMBL4274595

CC(C)(C)OC(=O)C(O)[C@H](O)CCCC#N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.38
CTSS P25774 10/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL28655193 1.00 CTSK (0.38) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL27504700 0.80 TDP1 (0.41) MEN1KMT2AGAACYP2D6
SCHEMBL5052844 0.79 KMT2A (0.34) MEN1KMT2AGAACYP2D6
SCHEMBL28744759 0.79 KMT2A (0.34) MEN1KMT2AGAACYP2D6
SCHEMBL1259908 0.79 CTSK (0.38) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL27416647 0.77 MEN1 (0.36) CTSKMEN1KMT2AGAAALDH1A1
SCHEMBL547994 0.76 CTSK (0.38) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL1258946 0.75 MEN1 (0.34) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL14688156 0.75 MEN1 (0.34) CTSKCTSSMEN1KMT2ACTSL
SCHEMBL28548719 0.74 SLC1A2 (0.41) MEN1KMT2ATSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO claimed
CN-112899246-B Aldehyde ketone reductase KmAKR mutant and application thereof in catalytic synthesis of chiral alcohol 浙江工业大学 2022-06-21 CN disclosed
CN-111778223-B Method for modifying stereoselectivity of carbonyl reductase, carbonyl reductase mutant and application 浙江工业大学 2022-03-18 CN disclosed
CN-110577940-B Kluyveromyces marxianus aldehyde ketone reductase KmAKR mutant and application thereof 浙江工业大学 2021-06-08 CN disclosed
CN-112899246-A Aldehyde ketone reductase KmAKR mutant and application thereof in catalytic synthesis of chiral alcohol 浙江工业大学 2021-06-04 CN disclosed
CN-109055327-B Aldehyde ketone reductase mutant and application thereof 浙江工业大学 2021-04-06 CN disclosed
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO disclosed
CN-110004120-B Recombinant aldone reductase mutant and application thereof 浙江工业大学 2021-02-02 CN disclosed
CN-111778223-A Method for modifying stereoselectivity of carbonyl reductase, carbonyl reductase mutant and application 浙江工业大学 2020-10-16 CN disclosed
CN-107058248-B Recombinant aldone reductase mutant, gene, vector, engineering bacterium and application thereof 浙江工业大学 2020-10-09 CN disclosed
CN-106929521-B Aldehyde ketone reductase gene recombination co-expression vector, engineering bacterium and application thereof 浙江工业大学 2020-08-21 CN disclosed
CN-110577940-A Kluyveromyces marxianus aldehyde ketone reductase KmAKR mutant and application thereof 浙江工业大学 2019-12-17 CN disclosed
CN-105671010-A Aldehyde ketone reductase mutant, gene, engineering bacterium and application of mutant 浙江工业大学 2016-06-15 CN disclosed
CN-104630242-A Carbonyl reductase gene, codase, vector, engineering bacterium and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-05-20 CN disclosed
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
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.