SCHEMBL527388

SCHEMBL527388

N[C@@H](Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
PPARG P37231 8/20 0.54
FFAR1 O14842 7/20 0.52
PPARA Q07869 2/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MPC2 O95563 2/20 0.46
CYP2C8 P10632 2/20 0.46

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
SCHEMBL17361063 1.00 MAPT (0.54) MAPTPPARGFFAR1PPARAITGB3
SCHEMBL1387126 1.00 MAPT (0.54) MAPTPPARGFFAR1PPARAITGB3
Hydrochloric Acid SCHEMBL3867753 0.99 MAPT (0.53) MAPTPPARGFFAR1PPARAITGB3
SCHEMBL13908667 0.90 CA2 (0.54) MAPTPPARGFFAR1PPARAITGB3
Hydrochloric Acid SCHEMBL4160381 0.89 CA2 (0.53) MAPTPPARGFFAR1PPARAITGB3
Potassium Ion SCHEMBL3867740 0.88 MAPT (0.52) MAPTPPARGFFAR1PPARAMEN1
SCHEMBL3867994 0.88 MAPT (0.52) MAPTPPARGFFAR1PPARAMEN1
SCHEMBL3867997 0.88 MAPT (0.52) MAPTPPARGFFAR1PPARAMEN1
Potassium Ion SCHEMBL3867738 0.88 MAPT (0.52) MAPTPPARGFFAR1PPARAMEN1
SCHEMBL1386929 0.88 PCNA (0.48) MAPTPPARGFFAR1PPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2987488-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LUNG DISORDERS Orchid Chemicals and Pharmaceuticals Ltd (IN) 2016-02-24 EP claimed
EP-1848700-B1 SALTS OF (S)-2-AMINO-3-{4-[4-(2,4-DIOXO-THIAZOLIDIN-5-YLMETHYL)-PHENOXY]-PHENYL}-PROPIONIC ACID AND ITS METHYL ESTER AS INTERLEUKIN INHIBITORS FOR THE TREATMENT OF OBESITY OR DIABETES BEXEL PHARMACEUTICALS INC (US) 2015-12-30 EP claimed
EP-2598142-B1 DIPHENYL ETHER COMPOUNDS FOR USE IN THE TREATMENT OF LIVER DISORDERS ORCHID CHEMICALS & PHARM LTD (IN) 2015-12-16 EP claimed
US-20140187594-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES ORCHID CHEMICALS AND PHARMACEUTICALS LTD (IN) 2014-07-03 US claimed
EP-2598142-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2013-06-05 EP claimed
WO-2012014218-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES ORCHID RESEARCH LABORATORIES LTD. (IN) 2012-02-02 WO claimed
EP-2987488-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LUNG DISORDERS Orchid Chemicals and Pharmaceuticals Ltd (IN) 2016-02-24 EP disclosed
EP-1848700-B1 SALTS OF (S)-2-AMINO-3-{4-[4-(2,4-DIOXO-THIAZOLIDIN-5-YLMETHYL)-PHENOXY]-PHENYL}-PROPIONIC ACID AND ITS METHYL ESTER AS INTERLEUKIN INHIBITORS FOR THE TREATMENT OF OBESITY OR DIABETES BEXEL PHARMACEUTICALS INC (US) 2015-12-30 EP disclosed
EP-1848700-B1 SALTS OF (S)-2-AMINO-3-{4-[4-(2,4-DIOXO-THIAZOLIDIN-5-YLMETHYL)-PHENOXY]-PHENYL}-PROPIONIC ACID AND ITS METHYL ESTER AS INTERLEUKIN INHIBITORS FOR THE TREATMENT OF OBESITY OR DIABETES BEXEL PHARMACEUTICALS INC (US) 2015-12-30 EP disclosed
EP-2598142-B1 DIPHENYL ETHER COMPOUNDS FOR USE IN THE TREATMENT OF LIVER DISORDERS ORCHID CHEMICALS & PHARM LTD (IN) 2015-12-16 EP disclosed
US-20140187594-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES ORCHID CHEMICALS AND PHARMACEUTICALS LTD (IN) 2014-07-03 US disclosed
EP-2598142-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2013-06-05 EP disclosed
WO-2012014218-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES ORCHID RESEARCH LABORATORIES LTD. (IN) 2012-02-02 WO disclosed
US-7521465-B2 Diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 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 (1 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-20140187594-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES PYGL, CPT1A, GYS2 MAPT 64/4885PPARG 8/4885FFAR1 50/4885

“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.