SCHEMBL13323970

SCHEMBL13323970

C[S+](C)CC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.55
ECE1 P42892 2/20 0.55
FOLH1 Q04609 6/20 0.53
CASP1 P29466 2/20 0.52
CASP3 P42574 2/20 0.52
CASP9 P55211 2/20 0.52
CASP7 P55210 1/20 0.52
CTSL P07711 2/20 0.49
ACE P12821 2/20 0.47
SIRT5 Q9NXA8 1/20 0.47
CTSS P25774 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL13323943 0.92 MME (0.56) MMEECE1CASP1CASP3CASP9
SCHEMBL13323971 0.92 MME (0.48) MMEECE1FOLH1CTSLACE
SCHEMBL13323941 0.92 ACE (0.56) MMEECE1CTSLACECTSS
SCHEMBL13323973 0.90 SIRT2 (0.59) MMEECE1FOLH1CTSLCTSS
SCHEMBL9697579 0.89 MME (0.65) MMEECE1FOLH1CASP1CASP3
SCHEMBL13323958 0.88 CTSK (0.51) MMEECE1FOLH1CTSLCTSS
SCHEMBL13323962 0.88 MME (0.54) MMEECE1CASP1CASP3CASP9
SCHEMBL13323984 0.88 SIRT2 (0.50) MMEECE1FOLH1CTSLCTSS
SCHEMBL14077188 0.86 CASP1 (0.57) MMEECE1FOLH1CASP1CASP3
SCHEMBL13324006 0.86 MME (0.57) MMEECE1FOLH1CASP1CASP3

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-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 US disclosed
US-20080200511-A1 Novel Compounds and Methods of Using the Same ASTON UNIVERSITY (GB) 2008-08-21 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-20080200511-A1 Novel Compounds and Methods of Using the Same F3, IL4I1, TPMT MME 2392/4885ECE1 3200/4885FOLH1 609/4885

“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.