SCHEMBL4245049

SCHEMBL4245049

CC(C)(C)OC(=O)N1CCC(Nc2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.71
ALDH1A1 P00352 2/20 0.70
NPC1 O15118 1/20 0.69
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
HTT P42858 1/20 0.69
RAB9A P51151 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL5923823 0.93 GPR119 (0.63) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4013949 0.86 CA12 (0.72) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL382214 0.86 ALDH1A1 (0.65) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL10210061 0.85 ALDH1A1 (0.79) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL17554400 0.85 ALDH1A1 (0.77) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4115820 0.85 ALDH1A1 (0.77) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL2419811 0.84 GPR119 (0.63) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL377801 0.84 ALDH1A1 (0.75) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL2873727 0.84 ALDH1A1 (0.75) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL2338130 0.84 ALDH1A1 (0.77) GPR119ALDH1A1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 US disclosed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 WO disclosed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO 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-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 GPR119 1445/4885ALDH1A1 2980/4885NPC1 451/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GPR119 207/4885ALDH1A1 3358/4885NPC1 542/4885

“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.