SCHEMBL6483805

SCHEMBL6483805

Cc1cc(Cc2ccc(C(=O)O)cc2)c(=O)n2cc(C(=O)NCc3ccccc3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.47
NR1H4 Q96RI1 4/20 0.45
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 2/20 0.41
BRD4 O60885 1/20 0.41
HDAC1 Q13547 1/20 0.41
MMP13 P45452 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IMPDH2 P12268 1/20 0.41
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL6488185 0.81 TRPA1 (0.53) NR1H4MAPTRXFP1ALDH1A1HPGD
SCHEMBL6476549 0.80 NR1H4 (0.44) KLK1NR1H4MAPTRXFP1ALDH1A1
SCHEMBL6487093 0.80 NR1H4 (0.46) KLK1NR1H4TP53ALDH1A1KDM4E
SCHEMBL6289388 0.77 ALDH1A1 (0.46) KLK1NR1H4MAPTTP53ALDH1A1
SCHEMBL6483921 0.74 MAPT (0.45) KLK1NR1H4MAPTRXFP1TP53
SCHEMBL6486746 0.73 NR1H4 (0.45) KLK1NR1H4MAPTALDH1A1KDM4E
SCHEMBL6819023 0.73 MMP13 (0.38) KLK1NR1H4MAPTRXFP1TP53
SCHEMBL6488181 0.72 NR1H4 (0.44) KLK1NR1H4MAPTALDH1A1KDM4E
SCHEMBL6483747 0.72 NR1H4 (0.44) NR1H4MAPTRXFP1TP53ALDH1A1
SCHEMBL6818666 0.72 TRPA1 (0.44) NR1H4MAPTRXFP1ALDH1A1KDM4E

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
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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 KLK1 651/4885NR1H4 2002/4885MAPT 4485/4885

“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.