SCHEMBL441076

SCHEMBL441076

[C-]#[N+]c1sc2c(SCC(=O)OC)ncnc2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.54
ALDH1A1 P00352 5/20 0.47
RXFP1 Q9HBX9 5/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAP3K8 P41279 1/20 0.43
POLB P06746 2/20 0.41
PRNP P04156 1/20 0.40
MCL1 Q07820 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL441189 0.87 NOTUM (0.72) NOTUMMAP3K8
SCHEMBL439326 0.82 NOTUM (0.57) NOTUMALDH1A1RXFP1RAB9AHPGD
SCHEMBL16333341 0.82 NOTUM (0.75) NOTUMALDH1A1RXFP1RAB9AHPGD
SCHEMBL440686 0.81 NOTUM (0.56) NOTUMALDH1A1RXFP1RAB9AHPGD
SCHEMBL469141 0.79 NOTUM (0.54) NOTUMALDH1A1RXFP1RAB9AHPGD
SCHEMBL469123 0.78 NOTUM (0.53) NOTUMALDH1A1RXFP1RAB9AHPGD
SCHEMBL438085 0.76 NOTUM (0.77) NOTUMALDH1A1RXFP1RAB9AHPGD
SCHEMBL16333296 0.71 RXFP1 (0.53) NOTUMALDH1A1RXFP1RAB9AHPGD
SCHEMBL16333194 0.71 NOTUM (1.00) NOTUMMAP3K8
SCHEMBL16333308 0.70 NOTUM (0.76) NOTUMALDH1A1RXFP1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 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 1/4885ALDH1A1 1305/4885RXFP1 1853/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885ALDH1A1 1305/4885RXFP1 1853/4885

“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.