SCHEMBL2217264

SCHEMBL2217264

CC(C)[C@H]1COCCCCOc2ccc(cc2)C[C@@H](NC(=O)NC(CSCCNC(=O)OCc2ccccc2)(Cc2ccccc2)C(=O)O)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN2 P17655 10/20 0.52
CPB2 Q96IY4 10/20 0.49

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
SCHEMBL2217267 1.00 CAPN2 (0.52) CAPN2CPB2
SCHEMBL2217115 0.89 CPB2 (0.54) CAPN2CPB2
SCHEMBL2217113 0.89 CPB2 (0.54) CAPN2CPB2
SCHEMBL15372879 0.85 CPB2 (0.62) CAPN2CPB2
SCHEMBL2217255 0.85 CPB2 (0.58) CAPN2CPB2
SCHEMBL15372880 0.85 CPB2 (0.62) CAPN2CPB2
SCHEMBL2217259 0.82 CPB2 (0.56) CAPN2CPB2
SCHEMBL2217106 0.79 CPB2 (0.68) CAPN2CPB2
SCHEMBL13577798 0.79 CPB2 (0.49) CAPN2CPB2
SCHEMBL15372869 0.79 CPB2 (0.74) CAPN2CPB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 US disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 US disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 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 (2 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-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 CAPN2 542/4885CPB2 41/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CAPN2 579/4885CPB2 43/4885

“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.