SCHEMBL438088

SCHEMBL438088

Cc1sc2c(Cl)ncnc2c1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.56
POLB P06746 1/20 0.39
OPRK1 P41145 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRM4 P08173 4/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.32
AXL P30530 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL441163 0.83 NOTUM (0.59) NOTUMPOLBOPRK1RXFP1CHRM4
SCHEMBL441063 0.81 NOTUM (0.56) NOTUMCHRM4
SCHEMBL438097 0.78 NOTUM (0.51) NOTUMPOLBRXFP1CHRM4
SCHEMBL438084 0.73 NOTUM (1.00) NOTUM
SCHEMBL438085 0.70 NOTUM (0.77) NOTUMRXFP1
SCHEMBL541850 0.70 PDE10A (0.34) NOTUMAXLMKNK1MKNK2
SCHEMBL30981529 0.70 PDE10A (0.38) NOTUM
SCHEMBL441077 0.69 OPRK1 (0.40) NOTUMPOLBOPRK1RXFP1CHRM4
SCHEMBL453682 0.68 NOTUM (0.50) NOTUMCHRM4
SCHEMBL439282 0.68 NOTUM (0.56) NOTUMCHRM4

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 1/4885POLB 2535/4885OPRK1 4016/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885POLB 2535/4885OPRK1 4016/4885

“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.