SCHEMBL6844744

SCHEMBL6844744

NS(=O)(=O)c1ccc(CNC(=O)c2ccc3cc(O)c(C(O)c4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.53
CA1 P00915 10/20 0.53
NR1H4 Q96RI1 2/20 0.52
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
EPHX2 P34913 1/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL6844738 0.92 NR1H4 (0.52) CA2CA1NR1H4EPHX2
SCHEMBL6845408 0.91 NR1H4 (0.51) CA2CA1NR1H4EPHX2
SCHEMBL6209722 0.89 ALDH1A1 (0.52) CA2NR1H4CA12CA9EPHX2
SCHEMBL6211052 0.88 RAB9A (0.48) NR1H4
SCHEMBL6195406 0.88 CA2 (0.57) CA2CA1NR1H4CA12CA9
SCHEMBL6842637 0.88 NR1H4 (0.61) NR1H4EPHX2
SCHEMBL6843414 0.87 NR1H4 (0.55) NR1H4EPHX2TP53
SCHEMBL6843480 0.87 NR1H4 (0.55) NR1H4EPHX2
SCHEMBL6843207 0.87 NR1H4 (0.55) CA2CA1NR1H4EPHX2
SCHEMBL6843326 0.87 NR1H4 (0.55) NR1H4EPHX2

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 CA2 982/4885CA1 2024/4885NR1H4 1615/4885

“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.