SCHEMBL526756

SCHEMBL526756

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.53
MAPT P10636 2/20 0.51
MPC2 O95563 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2C9 P11712 2/20 0.48
FFAR1 O14842 5/20 0.48
PPARA Q07869 1/20 0.48
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 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
RXRA P19793 1/20 0.44
THRA P10827 1/20 0.44

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
SCHEMBL1386640 1.00 PPARG (0.53) PPARGMAPTMPC2CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL3871967 0.99 PPARG (0.52) PPARGMAPTMPC2CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL2573831 0.99 PPARG (0.52) PPARGMAPTMPC2CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL3871964 0.99 PPARG (0.52) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL3879262 0.90 CA2 (0.48) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL3881322 0.90 CA2 (0.48) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL3881314 0.90 CA2 (0.48) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL3881320 0.90 CA2 (0.48) PPARGMAPTMPC2CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL4179701 0.89 CA2 (0.47) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL1386808 0.89 PPARG (0.46) PPARGMAPTMPC2CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
US-7521465-B2 Diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20090069313-A1 Novel MAO-A inhibitors ORCHID RESEARCH LABORATORIES LTD. (IN) 2009-03-12 US disclosed
US-20050288341-A1 Novel diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. 2005-12-29 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-20090069313-A1 Novel MAO-A inhibitors MAOA, MAOB, BACE1 PPARG 160/4885MAPT 25/4885MPC2 3972/4885
US-20050288341-A1 Novel diphenyl ether derivatives GPR119, FABP4, PNLIP PPARG 23/4885MAPT 3036/4885MPC2 464/4885
US-20140187594-A1 DIPHENYL ETHER COMPOUNDS FOR THE TREATMENT OF LIVER, LUNG DISORDERS, DIABETIC COMPLICATIONS AND CARDIOVASCULAR DISEASES PYGL, CPT1A, GYS2 PPARG 8/4885MAPT 64/4885MPC2 107/4885

“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.