SCHEMBL13196281

SCHEMBL13196281

O=C(CCl)NCCNC(=O)[C@H](CCCNC(=O)CI)NC(=O)CI

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
NMT2 O60551 2/20 0.34
NMT1 P30419 2/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 1/20 0.34
GLP1R P43220 8/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
NOD1 Q9Y239 1/20 0.32

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
SCHEMBL16790725 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL16790753 0.95 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL19441334 0.93 MEN1 (0.39) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL16790756 0.91 MEN1 (0.43) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL19441333 0.90 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL13196276 0.90 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL13196250 0.87 SIRT6 (0.37) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL16789169 0.87 SIRT6 (0.37) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL16789194 0.83 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2
SCHEMBL13196269 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SIRT6SIRT1NMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012138920-A1 ISOLATION OF CYSTEINE CONTAINING PEPTIDES MARTIN-PROTEAN, LLC (US) 2012-10-11 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-20150158905-A1 Isolation of Cysteine Containing Peptides LNPEP, CSTB, CPB1 ALDH1A1 4198/4885SMN1; SMN2 3838/4885SIRT6 3662/4885

“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.