SCHEMBL3049100

SCHEMBL3049100

NC(=O)C[C@H](NC(=O)CS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ECE1 P42892 2/20 0.49
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
CA2 P00918 6/20 0.43
CA1 P00915 4/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CA4 P22748 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL8352222 0.86 MEN1 (0.43) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL11269717 0.85 MEN1 (0.47) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL5841326 0.83 CA2 (0.58) MEN1KMT2ACA2CA1CA4
SCHEMBL7184807 0.82 ECE1 (0.50) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL3510050 0.82 ECE1 (0.50) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL30052291 0.82 ECE1 (0.50) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL3510048 0.82 ECE1 (0.50) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL16401 0.82 ECE1 (0.50) MEN1KMT2AECE1ITGB2ICAM1
SCHEMBL21012597 0.81 KMT2A (0.48) KMT2ACA2CA1ALOX15BLM
SCHEMBL4182303 0.80 ECE1 (0.53) MEN1KMT2AECE1ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749969-B2 N- or C- terminally modified small peptides ZEALAND PHARMA A/S (DK) 2010-07-06 US disclosed
US-20070123469-A1 N- or C- terminally modified small peptides ZEALAND PHARMA A/S (DK) 2007-05-31 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 (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-20070123469-A1 N- or C- terminally modified small peptides PTMS, CYP11A1, CYP3A4 MEN1 2325/4885KMT2A 4314/4885ECE1 97/4885

“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.