SCHEMBL2128266

SCHEMBL2128266

CCC(C(=S)S)N1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
SLC1A2 P43004 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 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
SCHEMBL698898 0.76 ALDH1A1 (0.56) LMNACA12CA1CA2CA3
SCHEMBL11244303 0.74 LMNA (0.43) LMNACA12CA1CA2CA3
SCHEMBL11244305 0.74 ALDH1A1 (0.42) LMNACA12CA1CA2CA3
Ethylene Glycol SCHEMBL5092855 0.72 ALDH1A1 (0.51) LMNACA12CA1CA2CA3
SCHEMBL15511368 0.72 CA1 (0.41) LMNACA12CA1CA2CA3
SCHEMBL2813031 0.69 ALDH1A1 (0.53) LMNACA12CA1CA2CA3
SCHEMBL13441949 0.69 LMNA (0.39) LMNACA12CA1CA2CA3
SCHEMBL2913712 0.68 ALDH1A1 (0.40) LMNACA12CA1CA2CA3
SCHEMBL1225667 0.68 ALDH1A1 (0.43) LMNAALDH1A1PKM
SCHEMBL8629351 0.67 ALDH1A1 (0.42) LMNACA12CA1CA2CA3

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 8 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

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 LMNA 2177/4885CA12 1735/4885CA1 762/4885
US-20020156318-A1 Process and intermediates HGFAC, MTAP, SPR LMNA 703/4885CA12 2982/4885CA1 2296/4885

“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.