SCHEMBL2128258

SCHEMBL2128258

CSSCC(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
MME P08473 1/20 0.35
SLC1A2 P43004 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL73144 0.89 ALDH1A1 (0.54) ALDH1A1PKMMMESLC1A2KMT2A
SCHEMBL4381247 0.79 ALDH1A1 (0.49) ALDH1A1PKMMMESLC1A2KMT2A
SCHEMBL9258688 0.76 ALDH1A1 (0.61) ALDH1A1PKMSLC1A2KMT2ACYP2C19
SCHEMBL987319 0.76 MAPK1 (0.52) ALDH1A1PKMMMEKMT2ACYP2C19
SCHEMBL988202 0.76 MAPK1 (0.52) ALDH1A1PKMMMEKMT2ACYP2C19
SCHEMBL698898 0.76 ALDH1A1 (0.56) ALDH1A1PKMMMESLC1A2KMT2A
SCHEMBL2490385 0.76 ALDH1A1 (0.45) ALDH1A1PKMMMESLC1A2KMT2A
SCHEMBL15623808 0.73 ALDH1A1 (0.53) ALDH1A1PKMMMESLC1A2CHRM2
SCHEMBL1269476 0.73 ALDH1A1 (0.53) ALDH1A1PKMMMESLC1A2KMT2A
SCHEMBL9453802 0.73 ALDH1A1 (0.53) ALDH1A1PKMMMESLC1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322597-B1 PROCESS AND INTERMEDIATES GLAXOSMITHKLINE LLC (US) 2012-04-25 EP disclosed
EP-1322597-A4 PROCESS AND INTERMEDIATES SMITHKLINE BEECHAM CORP (US) 2005-10-19 EP disclosed
US-6884874-B2 Process and intermediates SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
US-20040014980-A1 Such as n-methyl-alanine derivatives; for preparing antibody/maytansinoid complexes SMITHKLINE BEECHAM PLC 2004-01-22 US disclosed
EP-1322597-A1 PROCESS AND INTERMEDIATES SmithKline Beecham Corporation (US) 2003-07-02 EP disclosed
US-6570024-B2 N-methyl-L-alanine derivatives derivatives used for preparing cell binding agent/maytansinoid complexes SMITHKLINE BEECHAM CORPORATION 2003-05-27 US disclosed
US-20020156318-A1 Process and intermediates GLAXOSMITHKLINE LLC 2002-10-24 US disclosed
WO-2002022554-A1 PROCESS AND INTERMEDIATES SMITHKLINE BEECHAM CORPORATION (US) 2002-03-21 WO disclosed
US-5395924-A Oligosaccharide or glycopeptide bound to lectin and conjugated with cell binding agent, improved targeting of cells for cytolysis DANA-FARBER CANCER INSTITUTE, INC. (US) 1995-03-07 US disclosed
US-5239062-A Blocked lectins, methods and affinity support for making same using affinity ligands, and method of killing selected cell populations having reduced nonselective cytotoxicity DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-08-24 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 (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-20040014980-A1 Such as n-methyl-alanine derivatives; for preparing antibody/maytansinoid complexes HGFAC, ANPEP, AAAS ALDH1A1 2103/4885PKM 2231/4885MME 122/4885
US-20020156318-A1 Process and intermediates HGFAC, MTAP, SPR ALDH1A1 2218/4885PKM 735/4885MME 568/4885

“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.