SCHEMBL469123

SCHEMBL469123

CCOC(=O)c1sc2c(SCC(=O)OC)ncnc2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.53
MAP3K8 P41279 1/20 0.50
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 7/20 0.44
RXFP1 Q9HBX9 2/20 0.44
RAB9A P51151 1/20 0.44
STK17B O94768 1/20 0.44
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PRNP P04156 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL440686 0.87 NOTUM (0.56) NOTUMMAP3K8ALDH1A1RXFP1RAB9A
SCHEMBL439326 0.81 NOTUM (0.57) NOTUMMAP3K8HSD17B10ALDH1A1RXFP1
SCHEMBL16333341 0.81 NOTUM (0.75) NOTUMMAP3K8ALDH1A1RXFP1RAB9A
SCHEMBL441076 0.78 NOTUM (0.54) NOTUMMAP3K8HSD17B10ALDH1A1RXFP1
SCHEMBL469141 0.78 NOTUM (0.54) NOTUMMAP3K8HSD17B10ALDH1A1RXFP1
SCHEMBL469124 0.78 HSD17B10 (0.49) NOTUMHSD17B10ALDH1A1RXFP1RAB9A
SCHEMBL438085 0.75 NOTUM (0.77) NOTUMMAP3K8ALDH1A1RXFP1RAB9A
SCHEMBL441182 0.74 NOTUM (0.78) NOTUMMAP3K8STK17B
SCHEMBL16333296 0.73 RXFP1 (0.53) NOTUMHSD17B10ALDH1A1RXFP1RAB9A
SCHEMBL438107 0.72 NOTUM (0.74) NOTUMMAP3K8STK17B

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 4 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
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US 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

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 2640/4885HSD17B10 577/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885MAP3K8 2640/4885HSD17B10 577/4885

“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.