SCHEMBL6289329

SCHEMBL6289329

Cn1cc(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccccc3)sc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSNK2A2 P19784 1/20 0.43
KDR P35968 1/20 0.43
PLK1 P53350 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
BRD4 O60885 1/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
PHGDH O43175 1/20 0.42
TRPA1 O75762 2/20 0.42
MAPT P10636 1/20 0.42
HASPIN Q8TF76 1/20 0.42

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
SCHEMBL6288742 0.87 MAPT (0.49) SMN1; SMN2CSNK2A2KDRPLK1CSNK2B
SCHEMBL6292163 0.80 PHGDH (0.44) SMN1; SMN2BRD4EGFRSRCPHGDH
SCHEMBL6292189 0.80 POLB (0.46) ALDH1A1SMN1; SMN2BRD4EGFRSRC
SCHEMBL6289388 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2BRD4EGFRSRC
SCHEMBL6289369 0.78 MMP13 (0.42)
SCHEMBL6488185 0.77 TRPA1 (0.53) ALDH1A1PHGDHTRPA1MAPT
SCHEMBL6288888 0.72 CNR2 (0.43) ALDH1A1BRD4EGFRSRCPHGDH
SCHEMBL6289011 0.72 PHGDH (0.44) ALDH1A1BRD4EGFRSRCPHGDH
SCHEMBL6288949 0.72 PHGDH (0.42) ALDH1A1BRD4EGFRSRCPHGDH
SCHEMBL6289354 0.70 LMNA (0.46) ALDH1A1SMN1; SMN2TRPA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US claimed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US claimed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 ALDH1A1 337/4885SMN1; SMN2 3696/4885CSNK2A2 3094/4885

“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.