SCHEMBL869138

SCHEMBL869138

Cc1cc(-c2cncc(C(=O)N=[S@@](C)(=O)C3C=CC=CC3)c2)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.35
HSD17B1 P14061 7/20 0.33
HSD17B2 P37059 7/20 0.33
HSD17B14 Q9BPX1 2/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL869367 0.89 XDH (0.49) XDHMKNK1MKNK2
SCHEMBL11985268 0.88 MKNK1 (0.34) XDHMKNK1MKNK2
SCHEMBL870934 0.85 XDH (0.45) XDHMKNK1MKNK2
SCHEMBL11985204 0.85 SCN10A (0.40) XDHMKNK1MKNK2
SCHEMBL871880 0.85 SCN10A (0.40) XDHMKNK1MKNK2
SCHEMBL871636 0.85 KAT6A (0.40) XDHMKNK1MKNK2
SCHEMBL11985203 0.85 KAT6A (0.40) XDHMKNK1MKNK2
SCHEMBL871093 0.83 KDM1A (0.38)
SCHEMBL10182185 0.83 KMO (0.41) XDHMKNK1MKNK2
SCHEMBL871769 0.80 PIP4K2A (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 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 (3 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885HSD17B1 4081/4885HSD17B2 3801/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885HSD17B1 4081/4885HSD17B2 3801/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885HSD17B1 4081/4885HSD17B2 3801/4885

“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.