SCHEMBL5585748

SCHEMBL5585748

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2cc(Cl)ccc2OCc2ccccc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 19/20 0.54
TBXA2R P21731 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 1/20 0.45

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
SCHEMBL5585496 0.89 PTGER1 (0.52) PTGER1TBXA2RMRGPRX4CYP2C9CYP3A4
SCHEMBL5585515 0.88 PTGER1 (0.55) PTGER1TBXA2RMRGPRX4CYP2C9CYP3A4
SCHEMBL5585708 0.83 PTGER1 (0.49) PTGER1TBXA2RMRGPRX4CYP2C9CYP3A4
SCHEMBL5585493 0.83 GCGR (0.54) PTGER1TBXA2R
SCHEMBL5585460 0.82 PTGER1 (0.50) PTGER1TBXA2RMRGPRX4CYP2C9CYP3A4
SCHEMBL5585646 0.82 PTGER1 (0.48) PTGER1TBXA2RMRGPRX4CYP2C9
SCHEMBL5585690 0.80 PTGER1 (0.50) PTGER1TBXA2RMRGPRX4CYP2C9CYP3A4
SCHEMBL5585878 0.80 PTGER1 (0.56) PTGER1TBXA2RMRGPRX4CYP2C9CYP3A4
SCHEMBL5585445 0.80 HPGDS (0.58) PTGER1TBXA2RCYP2C9
SCHEMBL5585641 0.79 PTGER1 (0.55) PTGER1TBXA2RMRGPRX4CYP2C9CYP3A4

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 PTGER1 3758/4885TBXA2R 883/4885MRGPRX4 748/4885

“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.