SCHEMBL5455835

SCHEMBL5455835

O=C(O)c1ccc(COc2ccc3cc(-c4ccc(-c5ccccc5)n4Cc4ccc(C(F)(F)F)cc4)ccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47
PPARA Q07869 2/20 0.46
MAOB P27338 3/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 1/20 0.45
PTPN1 P18031 2/20 0.45
ACP1 P24666 2/20 0.45
PTPN2 P17706 1/20 0.45
PPARD Q03181 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
P2RY14 Q15391 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44

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 0.91 SLC6A5 (0.46) SLC6A5PPARAMAOBPTPN1PPARD
SCHEMBL5455811 0.89 RXRA (0.46) NR4A2MRGPRX4SLC6A5PPARARXRA
SCHEMBL5442874 0.86 PPARD (0.50) PPARAPTPN1PTPN2PPARD
SCHEMBL5454538 0.83 NR1H2 (0.44) SLC6A5RXRAPPARD
SCHEMBL5451042 0.81 GRIK1 (0.44) MAOBACP1NPC1MAPT
SCHEMBL5446217 0.81 ESR1 (0.46)
SCHEMBL5447426 0.81 PGR (0.39) PPARAMAOBPPARDMAPT
SCHEMBL5457225 0.80 NR4A2 (0.51) NR4A2MRGPRX4RXRARXRBRXRG
SCHEMBL5448677 0.79 PPARG (0.61) PPARAPTPN1
SCHEMBL5455854 0.79 ALOX5AP (0.40) MAOBPPARD

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 10 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
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP 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
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 WO 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 NR4A2 3109/4885MRGPRX4 2354/4885SLC6A5 4621/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 NR4A2 3109/4885MRGPRX4 2354/4885SLC6A5 4621/4885

“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.