SCHEMBL6302548

SCHEMBL6302548

CS(=O)(=O)c1ccc(Cn2cnc3ccc(C#CCc4cccc(Br)c4)cc3c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.67
GRK2 P25098 2/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41
DDR1 Q08345 1/20 0.39
GRK5 P34947 1/20 0.39
GRK1 Q15835 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL6296046 0.91 MMP13 (0.69) MMP13HSD17B13DDR1
SCHEMBL6297441 0.90 MMP13 (0.68) MMP13GRK2HSD17B13
SCHEMBL6297943 0.90 MMP13 (0.75) MMP13GRK2HSD17B13
SCHEMBL6297926 0.89 MMP13 (0.69) MMP13GRK2HSD17B13DDR1
SCHEMBL6296008 0.88 MMP13 (0.65) MMP13GRK2HSD17B13GRK5GRK1
SCHEMBL6297403 0.88 MMP13 (0.65) MMP13GRK2GRK5
SCHEMBL6296171 0.87 MMP13 (0.50) MMP13GRK2HSD17B13GRK5GRK1
SCHEMBL6297456 0.86 MMP13 (0.70) MMP13HSD17B13
SCHEMBL6302840 0.86 MMP13 (0.70) MMP13HSD17B13DDR1
SCHEMBL6298053 0.86 MMP13 (0.67) MMP13GRK2GRK5GRK1PDPK1

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 7 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
EP-1492775-A2 OXO-AZABICYCLIC COMPOUNDS Warner-Lambert Company LLC (US) 2005-01-05 EP 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
WO-2003076416-A1 OXO AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 WO disclosed
WO-2003076417-A2 OXO-AZABICYCLIC COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2003-09-18 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 (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 1/4885GRK2 3819/4885HSD17B13 106/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885GRK2 3822/4885HSD17B13 89/4885

“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.