SCHEMBL6029422

SCHEMBL6029422

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.61
GPR34 Q9UPC5 5/20 0.58
NR4A2 P43354 1/20 0.56
ITGA4 P13612 2/20 0.55
PTPN1 P18031 3/20 0.55
PTPN2 P17706 1/20 0.55
CDC25B P30305 1/20 0.55
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
PPARG P37231 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CA2 P00918 1/20 0.50
ITGB1 P05556 1/20 0.50

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
SCHEMBL1122946 0.94 GPR132 (0.64) GPR132GPR34NR4A2ITGA4PTPN1
SCHEMBL1122707 0.94 GPR132 (0.64) GPR132GPR34NR4A2ITGA4PTPN1
SCHEMBL6031202 0.93 GPR132 (0.58) GPR132GPR34ITGA4PTPN1PTPN2
SCHEMBL6030889 0.89 GPR132 (0.61) GPR132GPR34ITGA4PTPN1GAA
SCHEMBL6029880 0.88 GPR132 (0.73) GPR132GPR34PTPN1GAARAB9A
SCHEMBL5921792 0.88 PTPN1 (0.63) GPR132NR4A2PTPN1PTPN2CDC25B
SCHEMBL5921791 0.88 PTPN1 (0.63) GPR132NR4A2PTPN1PTPN2CDC25B
SCHEMBL6030124 0.87 PTPN1 (0.71) GPR132GPR34PTPN1PTPN2CDC25B
SCHEMBL6031581 0.87 GPR132 (0.61) GPR132GPR34PTPN1PTPN2CDC25B
SCHEMBL1122833 0.87 GPR132 (0.72) GPR132GPR34PTPN1GAARAB9A

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 68/4885GPR34 426/4885NR4A2 1675/4885

“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.