SCHEMBL2217110

SCHEMBL2217110

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

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.59
CAPN2 P17655 10/20 0.52

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
SCHEMBL15372869 0.88 CPB2 (0.74) CPB2CAPN2
SCHEMBL15372870 0.88 CPB2 (0.74) CPB2CAPN2
SCHEMBL2217259 0.88 CPB2 (0.56) CPB2CAPN2
SCHEMBL2217106 0.87 CPB2 (0.68) CPB2CAPN2
SCHEMBL15372880 0.83 CPB2 (0.62) CPB2CAPN2
SCHEMBL15372879 0.83 CPB2 (0.62) CPB2CAPN2
SCHEMBL2217113 0.82 CPB2 (0.54) CPB2CAPN2
SCHEMBL2217115 0.82 CPB2 (0.54) CPB2CAPN2
SCHEMBL2217255 0.81 CPB2 (0.58) CPB2CAPN2
SCHEMBL15893473 0.80 CPB2 (0.81) CPB2CAPN2

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 CPB2 41/4885CAPN2 542/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CPB2 43/4885CAPN2 579/4885

“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.