SCHEMBL6845408

SCHEMBL6845408

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.51
EPHX2 P34913 4/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RORC P51449 4/20 0.44
NAMPT P43490 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MMP13 P45452 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL6844744 0.91 CA2 (0.53) NR1H4EPHX2CA1CA2
SCHEMBL6844738 0.91 NR1H4 (0.52) NR1H4EPHX2NAMPTCA1CA2
SCHEMBL6209722 0.90 ALDH1A1 (0.52) NR1H4EPHX2ALDH1A1NAMPTCA2
SCHEMBL6843414 0.88 NR1H4 (0.55) NR1H4EPHX2ALDH1A1MMP13HDAC3
SCHEMBL6211052 0.87 RAB9A (0.48) NR1H4ALDH1A1GAANAMPT
SCHEMBL6195350 0.87 NR1H4 (0.56) NR1H4EPHX2ALDH1A1GAAHSD17B10
SCHEMBL6842637 0.87 NR1H4 (0.61) NR1H4EPHX2ALDH1A1MMP13HDAC3
SCHEMBL6842474 0.87 NPC1 (0.54) NR1H4EPHX2ALDH1A1MMP13HDAC1
SCHEMBL6843480 0.86 NR1H4 (0.55) NR1H4EPHX2ALDH1A1MMP13HDAC3
SCHEMBL6845319 0.86 NR1H4 (0.55) NR1H4EPHX2MMP13HDAC3HDAC1

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 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.