SCHEMBL439335

SCHEMBL439335

COC(=O)CSc1ncnc2c(C3CC3)csc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.47
PRNP P04156 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 2/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAP3K8 P41279 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 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
SCHEMBL438085 0.78 NOTUM (0.77) NOTUMALDH1A1RXFP1RAB9ATSHR
SCHEMBL16333308 0.77 NOTUM (0.76) NOTUMALDH1A1RXFP1RAB9ATSHR
SCHEMBL21822980 0.76 GPR35 (0.37) NOTUMALDH1A1MAPT
SCHEMBL439336 0.75 NOTUM (0.77) NOTUMALDH1A1RXFP1RAB9ATSHR
SCHEMBL440686 0.71 NOTUM (0.56) NOTUMPRNPALDH1A1MAPTRXFP1
SCHEMBL438091 0.70 GPR35 (0.37) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL439326 0.70 NOTUM (0.57) NOTUMPRNPALDH1A1MAPTRXFP1
SCHEMBL16333341 0.70 NOTUM (0.75) NOTUMPRNPALDH1A1MAPTRXFP1
SCHEMBL441091 0.69 GPR35 (0.41) NOTUMMAPTRAB9A
SCHEMBL16333408 0.69 NOTUM (0.71) NOTUMPRNPRXFP1HPGDKDM4E

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 6 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
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
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 1/4885PRNP 3798/4885ALDH1A1 1305/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885PRNP 3798/4885ALDH1A1 1305/4885

“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.