SCHEMBL870934

SCHEMBL870934

C[S@@](=O)(=NC(=O)c1cncc(-c2ccc(C(=O)O)cc2)c1)C1C=CC=CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.45
MKNK1 Q9BUB5 5/20 0.42
MKNK2 Q9HBH9 5/20 0.42
CHEK1 O14757 3/20 0.39
CASP3 P42574 1/20 0.36
KAT6A Q92794 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
DGAT1 O75907 1/20 0.32
SRD5A2 P31213 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL871066 0.92 XDH (0.45) XDHMKNK1MKNK2CHEK1KAT6A
SCHEMBL871636 0.92 KAT6A (0.40) XDHMKNK1MKNK2KAT6A
SCHEMBL11985203 0.92 KAT6A (0.40) XDHMKNK1MKNK2KAT6A
SCHEMBL11985268 0.91 MKNK1 (0.34) XDHMKNK1MKNK2KAT6ADGAT1
SCHEMBL10182185 0.90 KMO (0.41) XDHMKNK1MKNK2KAT6ARXRA
SCHEMBL11985204 0.90 SCN10A (0.40) XDHMKNK1MKNK2MAP4K4
SCHEMBL871880 0.90 SCN10A (0.40) XDHMKNK1MKNK2MAP4K4
SCHEMBL869367 0.88 XDH (0.49) XDHMKNK1MKNK2
SCHEMBL869138 0.85 XDH (0.35) XDHMKNK1MKNK2
SCHEMBL10182211 0.84 SCN10A (0.47)

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 2732/4885MKNK1 40/4885MKNK2 49/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885MKNK1 40/4885MKNK2 49/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885MKNK1 40/4885MKNK2 49/4885

“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.