SCHEMBL6476549

SCHEMBL6476549

Cc1cc(Cc2ccc(C(=O)O)cc2)c(=O)n2nc(C(=O)NCc3ccccc3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.44
PHGDH O43175 1/20 0.44
MMP13 P45452 2/20 0.44
PTGER4 P35408 4/20 0.42
KLK1 P06870 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PDE2A O00408 1/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL6819023 0.91 MMP13 (0.38) NR1H4PHGDHMMP13PTGER4KLK1
SCHEMBL6484781 0.87 PTGER4 (0.41) MMP13PTGER4KLK1LMNAPOLB
SCHEMBL6819154 0.87 PTGER4 (0.41) MMP13PTGER4KLK1LMNAPOLB
SCHEMBL6819026 0.84 MAPT (0.35) KLK1LMNAPOLBMAPTRXFP1
SCHEMBL6483805 0.80 KLK1 (0.47) NR1H4MMP13KLK1MAPTRXFP1
SCHEMBL6483747 0.79 NR1H4 (0.44) NR1H4PHGDHMMP13PTGER4LMNA
SCHEMBL6483921 0.79 MAPT (0.45) NR1H4PHGDHMMP13PTGER4KLK1
SCHEMBL6477198 0.79 TSHR (0.38) MMP13LMNAPOLB
SCHEMBL6919813 0.76 PTGER4 (0.45) PHGDHMMP13PTGER4LMNAPOLB
SCHEMBL6819160 0.75 KDM4E (0.35) MMP13PTGER4KLK1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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 (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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 NR1H4 2002/4885PHGDH 1652/4885MMP13 7/4885

“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.