SCHEMBL438091

SCHEMBL438091

COc1ncnc2c(C3CC3)csc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.37
PIP4K2C Q8TBX8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GPR119 Q8TDV5 4/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL29994784 0.77 GPR35 (0.36) GPR35
SCHEMBL441091 0.77 GPR35 (0.41) GPR35PIP4K2CGPR119MAPTNPC1
SCHEMBL441195 0.76 AXL (0.37) GPR35PIP4K2CALDH1A1GPR119MAPT
SCHEMBL30808244 0.76 AXL (0.37) GPR35PIP4K2CALDH1A1GPR119MAPT
SCHEMBL21822980 0.75 GPR35 (0.37) GPR35PIP4K2CALDH1A1GPR119MAPT
SCHEMBL439290 0.75 MAPT (0.35) ALDH1A1MAPTNPC1PKMMEN1
SCHEMBL13920413 0.75 NPC1 (0.47) ALDH1A1MAPTNPC1PKMMEN1
SCHEMBL13920414 0.73 MAPT (0.32) ALDH1A1MAPTMEN1KMT2A
SCHEMBL21823085 0.73 MAPK1 (0.42) GPR35PIP4K2CGPR119NPC1PKM
SCHEMBL28606328 0.73 PIP4K2C (0.42) GPR35PIP4K2CGPR119

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 11 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
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 GPR35 3233/4885PIP4K2C 3244/4885ALDH1A1 1305/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 GPR35 3233/4885PIP4K2C 3244/4885ALDH1A1 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.