SCHEMBL1398715

SCHEMBL1398715

Cc1nc(-c2ccc(Cl)cc2)c(C(=O)O)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.62
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
XDH P47989 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NTRK1 P04629 1/20 0.44
CDH1 P12830 1/20 0.44
APC P25054 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
DHODH Q02127 3/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1398786 0.87 GAA (0.57) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL13494131 0.85 RARA (0.54) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL275863 0.85 NTRK1 (0.59) RAB9ASMN1; SMN2NPC1PTGS1PTGS2
SCHEMBL1339569 0.84 PTGS2 (0.54) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL11286855 0.83 SMN1; SMN2 (0.54) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL6492363 0.83 PTGDR2 (0.55) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL13494039 0.83 KMO (0.47) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL1398615 0.83 ALDH1A1 (0.62) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17377335 0.82 KDM4E (0.53) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL14705597 0.82 KDM4E (0.53) PTGDR2RAB9ASMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
WO-2010013222-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 WO disclosed
CN-101506199-A Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-08-12 CN disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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 (3 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PTGDR2 294/4885RAB9A 717/4885SMN1; SMN2 2584/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 PTGDR2 389/4885RAB9A 2150/4885SMN1; SMN2 3751/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 PTGDR2 742/4885RAB9A 4382/4885SMN1; SMN2 1921/4885

“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.