SCHEMBL6195040

SCHEMBL6195040

CS(=O)(=O)c1ccc(CNC(=O)c2ccc3cc(O)c(Cc4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.55
EPHX2 P34913 4/20 0.50
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RORC P51449 3/20 0.46
NAMPT P43490 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
MMP13 P45452 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL6195011 0.91 NR1H4 (0.56) NR1H4EPHX2RORCNAMPTCA1
SCHEMBL6194608 0.91 CA2 (0.57) NR1H4EPHX2CA1CA2
SCHEMBL6190871 0.89 ALDH1A1 (0.55) NR1H4EPHX2ALDH1A1NAMPTCA1
SCHEMBL6194501 0.87 NR1H4 (0.69) NR1H4EPHX2MMP13HDAC3HDAC4
SCHEMBL6197349 0.86 ALDH1A1 (0.52) NR1H4ALDH1A1NAMPT
SCHEMBL6192830 0.86 NR1H4 (0.60) NR1H4EPHX2ALDH1A1GAAHSD17B10
SCHEMBL6843327 0.86 NR1H4 (0.60) NR1H4EPHX2MMP13HDAC3HDAC4
SCHEMBL6193483 0.85 NR1H4 (0.57) NR1H4EPHX2ALDH1A1MMP13HDAC1
SCHEMBL6196531 0.85 NR1H4 (0.59) NR1H4EPHX2ALDH1A1CA1CA2
SCHEMBL6194580 0.85 NR1H4 (0.59) NR1H4EPHX2ALDH1A1MMP13HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 NR1H4 1615/4885EPHX2 2569/4885ALDH1A1 1588/4885

“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.