SCHEMBL6842989

SCHEMBL6842989

O=C(O)c1ccc(C(O)c2cc3cc(C(=O)OCc4ccc(S(=O)(=O)O)cc4)ccc3cc2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 1/20 0.38
CA4 P22748 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MAPK1 P28482 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33

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
SCHEMBL6843439 0.92 CA2 (0.48) CA12CA1CA2CA9CA14
SCHEMBL6843454 0.91 CA12 (0.39) CA12CA1CA2CA9CA14
SCHEMBL6843226 0.90 ALDH1A1 (0.43) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6842640 0.89 ALDH1A1 (0.48) CA12CA1CA2CA9CA14
SCHEMBL6195792 0.88 LMNA (0.47) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6843368 0.87 RXRA (0.44) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6842433 0.87 MAPT (0.45) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6843321 0.87 MAPT (0.40) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6843441 0.87 RXRA (0.44) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6838146 0.87 NR4A2 (0.44) MAPTALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 CA12 2433/4885CA1 2024/4885CA2 982/4885

“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.