SCHEMBL6296015

SCHEMBL6296015

CSc1ccc(CC#Cc2cc3c(=O)n(Cc4ccc(S(C)(=O)=O)cc4)cnc3cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.50
PDE5A O76074 1/20 0.44
GHSR Q92847 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
EIF4EBP1 Q13541 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL6296012 0.91 MMP13 (0.49) MMP13PDE5AGHSRHSD17B13
SCHEMBL6296055 0.90 MMP13 (0.52) MMP13PDE5AHSD17B13
SCHEMBL6302439 0.90 MMP13 (0.52) MMP13GHSRHSD17B13SLC22A8
SCHEMBL6297365 0.89 MMP13 (0.51) MMP13GHSRHSD17B13SLC22A8
SCHEMBL6302425 0.89 MMP13 (0.56) MMP13HSD17B13
SCHEMBL6297383 0.89 MMP13 (0.51) MMP13GHSRHSD17B13SLC22A8
SCHEMBL6297484 0.87 MMP13 (0.58) MMP13EIF4EBP1SLC22A8
SCHEMBL6296093 0.86 MMP13 (0.49) MMP13HSD17B13
SCHEMBL6296209 0.86 MMP13 (0.67) MMP13PDE5AGHSRHSD17B13
SCHEMBL6302507 0.86 MMP13 (0.67) MMP13SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885PDE5A 3282/4885GHSR 1934/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885PDE5A 3137/4885GHSR 1554/4885

“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.