SCHEMBL6624088

SCHEMBL6624088

N#CSc1ccc(O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.52
EP300 Q09472 3/20 0.42
KAT2B Q92831 3/20 0.42
KAT8 Q9H7Z6 3/20 0.42
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
LDHA P00338 1/20 0.37
CTSB P07858 1/20 0.36
CYP1A2 P05177 1/20 0.35
APP P05067 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL11594393 0.76 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL11261233 0.76 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL112633 0.75 KDM4E (0.51) IDO1MAPTKDM4EMEN1ALDH1A1
SCHEMBL5490899 0.74 ALDH1A1 (0.41) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL31026023 0.74 ALDH1A1 (0.41) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL7193573 0.74 IDO1 (0.62) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL27571891 0.72 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL22566385 0.72 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL7199139 0.72 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL29638 0.72 IDO1 (1.00) IDO1EP300KAT2BKAT8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833380-B2 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid WARNER-LAMBERT COMPANY, LLC 2004-12-21 US disclosed
EP-1485091-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-15 EP disclosed
US-20030207916-A1 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074052-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 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 (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-20030207916-A1 Thiazole or oxazole derivatives such as (4-(4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethylsulfanyl)-5-oxo -5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid PPARA, PPARD, PPARG IDO1 3259/4885EP300 346/4885KAT2B 2086/4885

“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.