Sugi Predict

Sugi Predict / Compounds / SCHEMBL5675367

SCHEMBL5675367

SCHEMBL5675367

OCCCN(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 8/20 0.45
▸ PPARG P37231 3/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ PIK3CG P48736 1/20 0.36
▸ POLQ O75417 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ AKR1B1 P15121 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ CSNK1D P48730 1/20 0.33

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
SCHEMBL5674368 0.84 PPARD (0.60) PPARDPPARGPPARAPIK3CGMEN1
SCHEMBL5633739 0.82 PPARD (0.49) PPARDPPARGPPARAPOLQCACNA1H
SCHEMBL5633108 0.81 PPARD (0.48) PPARDPPARGPPARAPOLQCACNA1H
SCHEMBL5632802 0.80 PPARD (0.51) PPARDPPARGPPARAPOLQCACNA1H
SCHEMBL6313960 0.80 PPARD (0.54) PPARDPPARGPPARAMEN1KMT2A
SCHEMBL5678630 0.78 PPARA (0.42) PPARDPPARGPPARAPOLQ
SCHEMBL5632905 0.76 PPARD (0.51) PPARDPPARGPPARACACNA1HCACNA1B
SCHEMBL5674356 0.75 POLQ (0.55) PPARDPPARGPPARAPOLQMEN1
SCHEMBL14429589 0.75 PPARD (0.49) PPARDPPARGPPARACACNA1HCACNA1B
SCHEMBL5632042 0.72 POLQ (0.39) PPARDPPARGPPARAPOLQMEN1

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
EP-1613326-B1 (3-{3-'(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO]-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS INC (US) 2006-09-13 — — EP disclosed
EP-1613326-A1 (3-{3-´(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-01-11 — — EP disclosed
US-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders KALYPSYS, INC. 2005-03-31 — — US disclosed
WO-2004093879-A1 (3-{3-‘(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO!-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-11-04 — — 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-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885PPARA 2/4885

“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.