SCHEMBL440654

SCHEMBL440654

CC(C)c1sc2ncnc(Cl)c2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.55
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKA O14965 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
LIMK1 P53667 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31

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
SCHEMBL20513917 0.83 NOTUM (0.43) NOTUMSELEVCAM1SMN1; SMN2LMNA
SCHEMBL439239 0.76 NOTUM (0.51) NOTUMSELEVCAM1SMN1; SMN2LMNA
SCHEMBL16815481 0.73 NOTUM (0.39) NOTUMSELEVCAM1SMN1; SMN2LMNA
SCHEMBL439138 0.72 NOTUM (1.00) NOTUMALDH1A1HTT
SCHEMBL20513855 0.72 MCL1 (0.42) NOTUMSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL20514168 0.71 NOTUM (0.35) NOTUMSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL1604779 0.68 LIMK1 (0.61) NOTUMSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL1604973 0.68 NOTUM (0.51) NOTUMSELEVCAM1SMN1; SMN2LMNA
SCHEMBL14968875 0.68 MAPT (0.49) SELEVCAM1SMN1; SMN2LMNAALDH1A1
SCHEMBL10343795 0.66 LIMK1 (0.44) NOTUMSELEVCAM1SMN1; SMN2LMNA

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 10 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
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
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 1/4885SELE 2893/4885VCAM1 2044/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885SELE 2893/4885VCAM1 2044/4885

“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.