SCHEMBL452479

SCHEMBL452479

COCCNC(=O)CSc1ncnc2sc(C)c(C)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.69
HPGD P15428 3/20 0.69
CSNK2A2 P19784 1/20 0.63
CSNK2B P67870 1/20 0.63
CSNK2A1 P68400 1/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP2C9 P11712 1/20 0.62
RXFP1 Q9HBX9 4/20 0.60
POLB P06746 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C19 P33261 1/20 0.57
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57

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
SCHEMBL16333203 0.89 NOTUM (0.65) NOTUMHPGDKMT2AKDM4EMEN1
SCHEMBL16338969 0.84 NOTUM (0.69) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL16339840 0.82 NOTUM (1.00) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL16339247 0.82 NOTUM (1.00) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333328 0.82 NOTUM (1.00) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333306 0.78 NOTUM (1.00) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL439342 0.78 NOTUM (1.00) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL16339846 0.77 NOTUM (0.81) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL16339818 0.77 NOTUM (1.00) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1
SCHEMBL16339369 0.77 LMNA (0.66) NOTUMHPGDCSNK2A2CSNK2BCSNK2A1

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 8 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
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 1/4885HPGD 1208/4885CSNK2A2 552/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885HPGD 1208/4885CSNK2A2 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.