SCHEMBL438058

SCHEMBL438058

Cc1sc2ncnc(SCC(=O)O)c2c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 20/20 1.00
CSNK2A2 P19784 1/20 0.76
CSNK2B P67870 1/20 0.76
CSNK2A1 P68400 1/20 0.76

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
SCHEMBL439342 0.86 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333332 0.86 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL438060 0.86 NOTUM (0.77) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333360 0.86 NOTUM (0.77) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16339256 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333151 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333208 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16332773 0.84 NOTUM (0.72) NOTUM
SCHEMBL439138 0.83 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333388 0.83 NOTUM (0.70) NOTUMCSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714675-B1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2019-01-02 EP disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
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
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
EP-2616471-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
WO-2012166458-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-12-06 WO disclosed
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-11-29 US 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
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 (4 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-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE NOTUM 1/4885CSNK2A2 212/4885CSNK2B 295/4885
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885CSNK2A2 552/4885CSNK2B 623/4885
US-20120302562-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE NOTUM 1/4885CSNK2A2 212/4885CSNK2B 295/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885CSNK2A2 552/4885CSNK2B 623/4885

“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.