SCHEMBL6031191

SCHEMBL6031191

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCCc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.64
▸ ITGA2B P08514 3/20 0.64
▸ GPR132 Q9UNW8 2/20 0.61
▸ ITGB1 P05556 1/20 0.59
▸ ITGAV P06756 1/20 0.59
▸ ITGA5 P08648 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ PTPN1 P18031 2/20 0.57
▸ CA2 P00918 2/20 0.55
▸ CA1 P00915 1/20 0.55
▸ GPR34 Q9UPC5 2/20 0.54
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KLKB1 P03952 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ACE P12821 2/20 0.52

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
SCHEMBL27871439 0.93 ITGB3 (0.73) ITGB3ITGA2BGPR132ITGB1ITGAV
SCHEMBL1123264 0.91 GPR132 (0.68) ITGB3ITGA2BGPR132ITGB1ITGAV
SCHEMBL6029880 0.88 GPR132 (0.73) ITGB3ITGA2BGPR132GAARAB9A
SCHEMBL1123243 0.87 GPR132 (0.72) ITGB3ITGA2BGPR132GAARAB9A
SCHEMBL5927205 0.87 GPR132 (0.72) ITGB3ITGA2BGPR132GAARAB9A
SCHEMBL1122833 0.87 GPR132 (0.72) ITGB3ITGA2BGPR132GAARAB9A
SCHEMBL5921820 0.86 GPR132 (0.61) ITGB3ITGA2BGPR132ITGB1ITGAV
SCHEMBL5921824 0.86 GPR132 (0.61) ITGB3ITGA2BGPR132ITGB1ITGAV
SCHEMBL2632872 0.86 PTPN1 (0.74) ITGB1PTPN1CA2CA1CTSB
SCHEMBL8196220 0.86 PTPN1 (0.74) ITGB1PTPN1CA2CA1CTSB

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 ITGB3 872/4885ITGA2B 524/4885GPR132 68/4885

“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.

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