SCHEMBL6030889

SCHEMBL6030889

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.61
ITGA4 P13612 12/20 0.58
ITGB1 P05556 2/20 0.58
GPR34 Q9UPC5 3/20 0.58
PTPN1 P18031 1/20 0.54
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53

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
SCHEMBL6029422 0.89 GPR132 (0.61) GPR132ITGA4ITGB1GPR34PTPN1
SCHEMBL6511584 0.89 GPR132 (0.64) GPR132ITGA4ITGB1GPR34PTPN1
SCHEMBL6031202 0.89 GPR132 (0.58) GPR132ITGA4GPR34PTPN1GAA
SCHEMBL6029880 0.88 GPR132 (0.73) GPR132GPR34PTPN1GAARAB9A
SCHEMBL1122833 0.87 GPR132 (0.72) GPR132GPR34PTPN1GAARAB9A
SCHEMBL5927205 0.87 GPR132 (0.72) GPR132GPR34PTPN1GAARAB9A
SCHEMBL1123243 0.87 GPR132 (0.72) GPR132GPR34PTPN1GAARAB9A
SCHEMBL6030407 0.86 GPR34 (0.70) GPR132ITGA4ITGB1GPR34PTPN1
SCHEMBL7605621 0.86 GPR132 (0.60) GPR132ITGA4ITGB1
SCHEMBL6515404 0.85 ITGB1 (0.65) ITGA4ITGB1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists BAYER HEALTHCARE AG (DE) 2006-11-02 US claimed
EP-1594846-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS Bayer HealthCare AG (DE) 2005-11-16 EP claimed
WO-2004069805-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-08-19 WO claimed
US-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed
EP-1594846-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS Bayer HealthCare AG (DE) 2005-11-16 EP disclosed
WO-2004069805-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-08-19 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 (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-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists HRH2, BPHL, HRH1 GPR132 68/4885ITGA4 802/4885ITGB1 652/4885

“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.