SCHEMBL5454538

SCHEMBL5454538

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.44
RXRA P19793 6/20 0.44
NR1H3 Q13133 4/20 0.44
ALOX5AP P20292 3/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARG P37231 1/20 0.38
ATM Q13315 1/20 0.37
PTPN7 P35236 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL5455844 0.90 SLC6A5 (0.46) NR1H2ALOX5APPPARDSLC6A5PTPN7
SCHEMBL5455811 0.89 RXRA (0.46) NR1H2RXRANR1H3ALOX5APPPARD
SCHEMBL5455835 0.83 NR4A2 (0.48) RXRAPPARDSLC6A5
SCHEMBL5442874 0.79 PPARD (0.50) ALOX5APPPARDPPARGPTPN7
SCHEMBL5451042 0.78 GRIK1 (0.44) KDM4ETDP1
SCHEMBL5442953 0.75 PPARG (0.49) PPARG
SCHEMBL5464776 0.75 CYP11B1 (0.41) NR1H2RXRANR1H3PPARGPTPN7
SCHEMBL5446217 0.74 ESR1 (0.46) CYP3A4PPARG
SCHEMBL5447426 0.74 PGR (0.39) ALOX5APPPARDPPARG
SCHEMBL5448677 0.73 PPARG (0.61) PPARG

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 5 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 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 NR1H2 1166/4885RXRA 520/4885NR1H3 1029/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 NR1H2 1166/4885RXRA 520/4885NR1H3 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.