SCHEMBL3209669

SCHEMBL3209669

CCC(C)C(NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.64
MME P08473 2/20 0.64
CTSB P07858 8/20 0.62
CTSK P43235 6/20 0.62
REN P00797 2/20 0.59
CTSL P07711 3/20 0.56
CTSS P25774 2/20 0.56
CTSD P07339 1/20 0.56
CASP3 P42574 1/20 0.55
CASP7 P55210 1/20 0.55
TACR1 P25103 2/20 0.55

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
SCHEMBL8614145 0.93 CTSB (0.60) ECE1MMECTSBCTSKREN
SCHEMBL8614143 0.93 CTSB (0.60) ECE1MMECTSBCTSKREN
SCHEMBL11801396 0.92 MME (0.61) ECE1MMECTSBCTSKREN
SCHEMBL7275434 0.90 ECE1 (0.65) ECE1MMECTSBCTSKREN
SCHEMBL11450355 0.88 CTSB (0.65) ECE1MMECTSBCTSKREN
SCHEMBL7327620 0.88 CAPN1 (0.64) ECE1MMECTSBCTSKREN
SCHEMBL11450356 0.88 CTSB (0.65) ECE1MMECTSBCTSKREN
SCHEMBL3209667 0.87 CTSB (0.63) CTSBCTSKRENCTSLCTSS
SCHEMBL7359266 0.87 CTSB (0.69) ECE1MMECTSBCTSKCTSL
SCHEMBL7359269 0.87 CTSB (0.69) ECE1MMECTSBCTSKCTSL

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 ECE1 113/4885MME 224/4885CTSB 130/4885

“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.