SCHEMBL6845405

SCHEMBL6845405

CS(=O)(=O)c1ccc(CNC(=O)c2ccc3cc(O)c(Cc4ccc(C(=O)O)cc4)c(O)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.49
NR1H4 Q96RI1 6/20 0.48
EPHX2 P34913 4/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARG P37231 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NAMPT P43490 1/20 0.41

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
SCHEMBL6844739 0.91 CA2 (0.55) NR1H4EPHX2CA1CA2
SCHEMBL6844731 0.91 NR1H4 (0.48) RORCNR1H4EPHX2CA1CA2
SCHEMBL6209714 0.90 ALDH1A1 (0.53) RORCNR1H4EPHX2ALDH1A1CA1
SCHEMBL6843413 0.88 NR1H4 (0.52) NR1H4EPHX2ALDH1A1
SCHEMBL6842635 0.88 NR1H4 (0.59) NR1H4EPHX2ALDH1A1GAA
SCHEMBL6211045 0.87 ALDH1A1 (0.50) NR1H4ALDH1A1PPARGNAMPT
SCHEMBL6842454 0.86 RORC (0.51) RORCNR1H4EPHX2ALDH1A1GAA
SCHEMBL6845318 0.86 NR1H4 (0.51) NR1H4EPHX2PPARG
SCHEMBL6843325 0.86 NR1H4 (0.51) NR1H4EPHX2PPARG
SCHEMBL6843206 0.86 NR1H4 (0.51) NR1H4EPHX2ALDH1A1PPARGCA1

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 RORC 626/4885NR1H4 1615/4885EPHX2 2569/4885

“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.