SCHEMBL454842

SCHEMBL454842

Cc1c(C#N)sc2c(SCC(=O)O)ncnc12

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 0.72
MAP3K8 P41279 3/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A1 P68400 2/20 0.50
STK17B O94768 2/20 0.50

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
SCHEMBL469141 0.87 NOTUM (0.54) NOTUMMAP3K8
SCHEMBL16333194 0.84 NOTUM (1.00) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL439318 0.81 NOTUM (0.78) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL441103 0.81 NOTUM (1.00) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL16333464 0.81 NOTUM (1.00) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL441182 0.81 NOTUM (0.78) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL438107 0.79 NOTUM (0.74) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL16333597 0.78 NOTUM (1.00) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL441189 0.78 NOTUM (0.72) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1
SCHEMBL16333303 0.77 NOTUM (0.74) NOTUMMAP3K8CSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
EP-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
EP-2616471-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 US disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 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 (2 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-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885MAP3K8 2640/4885CSNK2A2 552/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885MAP3K8 2640/4885CSNK2A2 552/4885

“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.