SCHEMBL13875697

SCHEMBL13875697

COC(=O)[C@H](Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2Cl)cc1)NCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTPN1 P18031 2/20 0.46
FFAR1 O14842 6/20 0.45
PPARG P37231 7/20 0.45
MPC2 O95563 2/20 0.42
CYP2C8 P10632 2/20 0.42
CYP2C9 P11712 2/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13876145 0.92 CA2 (0.43) ALDH1A1NPSR1PTPN1FFAR1PPARG
SCHEMBL13875580 0.91 PTPN1 (0.46) ALDH1A1NPSR1PTPN1FFAR1PPARG
SCHEMBL13875929 0.91 PTPN1 (0.55) ALDH1A1NPSR1PTPN1FFAR1PPARG
SCHEMBL13866912 0.89 ALDH1A1 (0.51) ALDH1A1NPSR1PTPN1FFAR1PPARG
SCHEMBL13908674 0.89 ALDH1A1 (0.51) ALDH1A1NPSR1PTPN1FFAR1PPARG
SCHEMBL13875694 0.88 PPARG (0.52) ALDH1A1NPSR1FFAR1PPARGMPC2
SCHEMBL13912042 0.88 PPARG (0.52) ALDH1A1NPSR1FFAR1PPARGMPC2
Hydrochloric Acid SCHEMBL3868312 0.88 ALDH1A1 (0.50) ALDH1A1NPSR1PTPN1FFAR1PPARG
SCHEMBL17365879 0.85 CA2 (0.47) ALDH1A1NPSR1FFAR1PPARGMPC2
SCHEMBL13876150 0.83 CA2 (0.43) ALDH1A1NPSR1PTPN1FFAR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090069313-A1 Novel MAO-A inhibitors MAOA, MAOB, BACE1 ALDH1A1 248/4885NPSR1 398/4885PTPN1 2404/4885

“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.