SCHEMBL6842383

SCHEMBL6842383

NS(=O)(=O)c1ccc(COC(=O)c2ccc3ccc(C(O)c4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 19/20 0.55
CA2 P00918 19/20 0.55
CA9 Q16790 10/20 0.55
CA12 O43570 9/20 0.55
CA14 Q9ULX7 8/20 0.55
CA4 P22748 4/20 0.49
CA3 P07451 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA13 Q8N1Q1 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6845362 0.91 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL6843386 0.90 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL6843439 0.88 CA2 (0.48) CA1CA2CA9CA12CA14
SCHEMBL6843115 0.87 ALDH1A1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL6194312 0.86 MAPT (0.50)
SCHEMBL6843051 0.85 MAPT (0.49) CYP2C19
SCHEMBL6844635 0.85 RXRA (0.46)
SCHEMBL6844741 0.85 NR4A2 (0.46) CYP2C19
SCHEMBL6845387 0.85 RXRA (0.46)
SCHEMBL6843419 0.85 RXRA (0.43)

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 CA1 2024/4885CA2 982/4885CA9 508/4885

“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.