SCHEMBL3215968

SCHEMBL3215968

CC(C)(C)OC(=O)NCCCCC(NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(F)cc1F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 15/20 0.53
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CTSL P07711 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FOLH1 Q04609 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3215953 1.00 CPB2 (0.53) CPB2CTSSCTSKCTSLCA1
SCHEMBL16500289 0.94 CPB2 (0.45) CPB2CTSSCTSKCTSLCA1
SCHEMBL3209751 0.85 CPB2 (0.68) CPB2
Trifluoroacetic Acid SCHEMBL3192776 0.83 CPB2 (0.63) CPB2
SCHEMBL3202464 0.77 CPB2 (0.52) CPB2CTSSCTSK
SCHEMBL3192787 0.77 CPB2 (0.52) CPB2CTSS
SCHEMBL7387298 0.74 CTSS (0.59) CTSSCTSKCTSL
SCHEMBL3211502 0.73 CPB2 (0.74) CPB2
SCHEMBL3211528 0.73 CPB2 (0.74) CPB2
SCHEMBL27759884 0.72 CPB2 (0.59) CPB2CTSLFOLH1

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 CPB2 61/4885CTSS 132/4885CTSK 209/4885

“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.