SCHEMBL3208025

SCHEMBL3208025

NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCCCc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.73
MMP3 P08254 5/20 0.59
MMP1 P03956 4/20 0.59
MMP2 P08253 4/20 0.59
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 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
SCHEMBL3208045 1.00 CPB2 (0.73) CPB2MMP3MMP1MMP2CHRNB2
SCHEMBL3199733 0.85 CPB2 (0.69) CPB2MMP3MMP1CHRNB2CHRNB4
SCHEMBL3209744 0.85 CPB2 (1.00) CPB2
SCHEMBL3211133 0.83 CPB2 (0.82) CPB2
SCHEMBL3211162 0.83 CPB2 (0.82) CPB2
SCHEMBL27781388 0.82 CPB2 (0.84) CPB2
SCHEMBL3211782 0.82 CPB2 (0.84) CPB2
SCHEMBL3211797 0.82 CPB2 (0.84) CPB2
SCHEMBL3211197 0.82 CPB2 (0.72) CPB2
SCHEMBL27759893 0.82 CPB2 (0.72) CPB2

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 9 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 claimed
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 US claimed
EP-2104497-A2 UREA AND SULFAMIDE DERIVATIVES AS TAFIA INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP claimed
WO-2008067909-A2 UREA AND SULFAMIDE DERIVATIVES AS TAFIA INHIBITORS SANOFI-AVENTIS (FR) 2008-06-12 WO claimed
US-8389764-B2 Urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-03-05 US disclosed
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
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
WO-2008067909-A2 UREA AND SULFAMIDE DERIVATIVES AS TAFIA INHIBITORS SANOFI-AVENTIS (FR) 2008-06-12 WO 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 61/4885MMP3 779/4885MMP1 106/4885

“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.