SCHEMBL3713995

SCHEMBL3713995

CCC(NC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.41
CTSS P25774 8/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 3/20 0.39
CA7 P43166 3/20 0.39
CA12 O43570 3/20 0.39
CA14 Q9ULX7 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
APLNR P35414 1/20 0.35

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
SCHEMBL28686654 0.89 CTSK (0.38) CTSKCTSSMEN1GAAKMT2A
SCHEMBL28235385 0.85 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL14660314 0.82 CTSK (0.43) CTSKCTSSMEN1GAAKMT2A
SCHEMBL723335 0.81 SYK (0.55) CTSKCTSSMEN1KMT2ACA1
SCHEMBL1979479 0.80 CTSK (0.45) CTSKCTSSMEN1GAAKMT2A
SCHEMBL29382780 0.80 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1979477 0.80 CTSK (0.45) CTSKCTSSMEN1GAAKMT2A
SCHEMBL88462 0.80 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2837383 0.80 CTSK (0.45) CTSKCTSSMEN1GAAKMT2A
SCHEMBL18205347 0.78 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A

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
CN-104844687-B The amino-acid ester prodrug of alkyl amino-substituted dicyan yl pyrimidines and they 拜耳知识产权有限责任公司 2019-04-02 CN disclosed
US-9783571-B2 Isolation of cysteine containing peptides MARTIN WARHAM LANCE (US) 2017-10-10 US disclosed
US-20150158905-A1 Isolation of Cysteine Containing Peptides MARTIN WARHAM LANCE (US) 2015-06-11 US disclosed
EP-2694528-A1 ISOLATION OF CYSTEINE CONTAINING PEPTIDES Martin-Protean, LLC (US) 2014-02-12 EP disclosed
WO-2012138920-A1 ISOLATION OF CYSTEINE CONTAINING PEPTIDES MARTIN-PROTEAN, LLC (US) 2012-10-11 WO disclosed
US-20120122820-A1 PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2012-05-17 US disclosed
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 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 (2 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-20120122820-A1 PRODRUGS AND THE USE THEREOF TPMT, DPP4, PYGL CTSK 1992/4885CTSS 2703/4885MEN1 1638/4885
US-20150158905-A1 Isolation of Cysteine Containing Peptides LNPEP, CSTB, CPB1 CTSK 415/4885CTSS 88/4885MEN1 3253/4885

“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.