Sugi Predict

Sugi Predict / Compounds / SCHEMBL5025538

SCHEMBL5025538

SCHEMBL5025538

NC(=O)c1ccc(C(F)(F)F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ CES1 P23141 2/20 0.38
▸ CD38 P28907 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL811064 0.82 DGAT1 (0.52) CES2DGAT1CES1PARP1ALDH1A1
SCHEMBL477444 0.82 KAT6A (0.49) CD38CTSSPARP1ALDH1A1MAPT
SCHEMBL1458482 0.82 KDM4E (0.43) CES2CES1ALDH1A1KDM4EHPGD
SCHEMBL5017505 0.80 PDE2A (0.33) CES2CTSSALDH1A1HPGDKIF11
SCHEMBL13389880 0.80 ALDH1A1 (0.41) CES2CES1CTSSALDH1A1LMNA
SCHEMBL5314054 0.78 FABP4 (0.46) PARP1ALDH1A1KMT2AMEN1MAPK1
SCHEMBL4184628 0.78 HTR1A (0.36) CES2DGAT1RPS6KB1WDR5
SCHEMBL22831692 0.76 CFTR (0.49) CES2CES1CTSSALDH1A1MAPT
SCHEMBL12322886 0.76 CTSS (0.31) CES2CTSSKIF11
SCHEMBL13407881 0.76 GAA (0.46) CES2CTSSALDH1A1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133831-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2009-11-05 — — WO disclosed
EP-1644368-B1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS HOFFMANN LA ROCHE (CH) 2008-08-27 — — EP disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 — — US disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 — — 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-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG CES2 1897/4885DGAT1 892/4885CES1 305/4885

“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.