Sugi Predict

Sugi Predict / Compounds / SCHEMBL5674368

SCHEMBL5674368

SCHEMBL5674368

OCCCN(Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 9/20 0.60
▸ PPARG P37231 3/20 0.60
▸ PPARA Q07869 1/20 0.60
▸ CACNA1B Q00975 3/20 0.42
▸ CACNA1H O95180 2/20 0.42
▸ PIK3CG P48736 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 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
SCHEMBL5675367 0.84 PPARD (0.45) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5633753 0.81 PPARD (0.64) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5633760 0.79 PPARD (0.62) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL6805155 0.79 PPARD (0.57) PPARDPPARGPPARANPC1RAB9A
SCHEMBL5702317 0.78 PPARD (0.67) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5633301 0.77 PPARD (0.64) PPARDPPARGPPARACACNA1BCACNA1H
SCHEMBL5677925 0.75 NPC1 (0.52) PPARDPPARGNPC1RAB9AALDH1A1
SCHEMBL23185864 0.71 NPC1 (0.43) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL27056957 0.70 KDM4E (0.48) PPARDPPARGPPARANPC1RAB9A
SCHEMBL5187815 0.69 NPC1 (0.48) PPARGNPC1RAB9AALDH1A1LMNA

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.