SCHEMBL5585282

SCHEMBL5585282

CCCCN(c1ccc(C(=O)O)cc1)c1nc(-c2cc(Cl)ccc2OCc2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.46
GIPR P48546 7/20 0.46
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
ALOX5 P09917 3/20 0.41
PSEN1 P49768 3/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
PTGER1 P34995 3/20 0.40

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
SCHEMBL5585493 0.88 GCGR (0.54) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585434 0.87 GCGR (0.44) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585460 0.81 PTGER1 (0.50) MRGPRX4PTGER1
SCHEMBL5585690 0.80 PTGER1 (0.50) MRGPRX4PTGER1
SCHEMBL5585513 0.79 NPSR1 (0.41) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585729 0.78 RXRA (0.40) GCGRGIPRRXRARXRBRXRG
SCHEMBL5585563 0.78 PTGER1 (0.40) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL5585777 0.78 PTGER1 (0.49) MRGPRX4PTGER1
SCHEMBL5585708 0.78 PTGER1 (0.49) GCGRGIPRMRGPRX4PTGER1
SCHEMBL5585515 0.77 PTGER1 (0.55) MRGPRX4PTGER1

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
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 GCGR 317/4885GIPR 195/4885RXRA 582/4885

“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.