SCHEMBL5455811

SCHEMBL5455811

O=C(O)c1ccc(COc2ccc3cc(-c4ccc(-c5ccccc5)n4Cc4ccc(C(F)(F)F)cc4)ccc3c2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
ALOX5AP P20292 3/20 0.42
PPARD Q03181 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
PPARA Q07869 1/20 0.41
NR4A2 P43354 2/20 0.40
MCL1 Q07820 1/20 0.40
PTGER4 P35408 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL5455835 0.89 NR4A2 (0.48) RXRAMRGPRX4PPARDSLC6A5PPARA
SCHEMBL5454538 0.89 NR1H2 (0.44) RXRANR1H2NR1H3ALOX5APPPARD
SCHEMBL5455844 0.83 SLC6A5 (0.46) NR1H2ALOX5APPPARDSLC6A5PPARA
SCHEMBL5442874 0.82 PPARD (0.50) ALOX5APPPARDPPARA
SCHEMBL5451042 0.77 GRIK1 (0.44)
SCHEMBL5446217 0.76 ESR1 (0.46)
SCHEMBL5447426 0.76 PGR (0.39) ALOX5APPPARDPPARA
SCHEMBL5448677 0.75 PPARG (0.61) PPARA
SCHEMBL5455854 0.75 ALOX5AP (0.40) ALOX5APPPARD
SCHEMBL5442953 0.74 PPARG (0.49) PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM WYETH (US) 2007-05-31 US claimed
US-7186749-B2 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2007-03-06 US claimed
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2006-03-09 US claimed
US-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM WYETH (US) 2007-05-31 US disclosed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP disclosed
US-7186749-B2 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2007-03-06 US disclosed
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2006-03-09 US disclosed
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 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 (2 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-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM SERPINE1, SERPINC1, SERPINB1 RXRA 520/4885NR1H2 1166/4885NR1H3 1029/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 RXRA 520/4885NR1H2 1166/4885NR1H3 1029/4885

“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.