SCHEMBL3209667

SCHEMBL3209667

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.63
CTSK P43235 4/20 0.63
REN P00797 2/20 0.62
CTSL P07711 3/20 0.61
CTSS P25774 1/20 0.61
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
TACR1 P25103 2/20 0.59
CAPN1 P07384 1/20 0.59
CASP3 P42574 1/20 0.58
CASP7 P55210 1/20 0.58
CTSD P07339 1/20 0.57

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
SCHEMBL8489933 0.98 CTSB (0.63) CTSBCTSKRENCTSLCTSS
SCHEMBL3210676 0.90 CTSB (0.60) CTSBCTSKCTSLCTSSCASP3
SCHEMBL13823620 0.90 CTSB (0.60) CTSBCTSKCTSLCTSSCASP3
SCHEMBL7327620 0.90 CAPN1 (0.64) CTSBCTSKRENCTSLCTSS
SCHEMBL5686620 0.89 REN (0.65) CTSBCTSKRENCTSLCTSS
SCHEMBL7275434 0.89 ECE1 (0.65) CTSBCTSKRENCTSLCTSS
SCHEMBL9416814 0.88 ALDH1A1 (0.62) CTSBCTSKCTSLCTSSALDH1A1
SCHEMBL11450356 0.87 CTSB (0.65) CTSBCTSKRENCTSLCTSS
SCHEMBL11450355 0.87 CTSB (0.65) CTSBCTSKRENCTSLCTSS
SCHEMBL17902640 0.87 CTSK (0.61) CTSBCTSKCTSLCTSSALDH1A1

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 CTSB 130/4885CTSK 209/4885REN 168/4885

“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.