SCHEMBL3202596

SCHEMBL3202596

CCC(C)C(NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 14/20 0.64
MME P08473 2/20 0.50
ECE1 P42892 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
CTSC P53634 2/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
REN P00797 1/20 0.48

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
SCHEMBL30050940 1.00 CTSD (0.64) CTSDMMEECE1FNTAFNTB
SCHEMBL30052924 0.95 CTSD (0.64) CTSDMMECTSCACECPA1
SCHEMBL30050842 0.95 CTSD (0.60) CTSDMMEECE1CTSCACE
SCHEMBL31462339 0.95 CTSD (0.60) CTSDMMEECE1CTSCACE
SCHEMBL3052110 0.95 CTSD (0.57) CTSDMMEECE1CTSCACE
SCHEMBL3052108 0.95 CTSD (0.57) CTSDMMEECE1CTSCACE
SCHEMBL30051660 0.91 CTSD (0.55) CTSDMMEFNTAFNTBCTSC
SCHEMBL30974364 0.90 CTSD (0.54) CTSDMMEACECPA1ACE2
SCHEMBL29720334 0.90 CTSD (0.53) CTSDMMEECE1CTSCACE
SCHEMBL30051265 0.90 CTSD (0.53) CTSDMMEECE1CTSCACE

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-8389764-B2 Urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-03-05 US disclosed
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 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-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINE1 CTSD 147/4885MME 224/4885ECE1 113/4885

“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.