SCHEMBL2903709

SCHEMBL2903709

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC(CO)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
F2 P00734 3/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM4 P08173 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
ACE P12821 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2903708 1.00 ITGB3 (0.46) ITGB3ITGA2BF2F10PLG
SCHEMBL3760950 0.95 F2 (0.46) ITGB3ITGA2BF2F10PLG
SCHEMBL2919067 0.95 F2 (0.46) ITGB3ITGA2BF2F10PLG
SCHEMBL3746359 0.92 ITGB3 (0.47) ITGB3ITGA2BF2F10PLG
SCHEMBL2906079 0.92 ITGB3 (0.47) ITGB3ITGA2BF2F10PLG
SCHEMBL2906080 0.92 ITGB3 (0.47) ITGB3ITGA2BF2F10PLG
SCHEMBL2903664 0.90 CHRM4 (0.44) ITGB3ITGA2BF2F10PLG
SCHEMBL2897997 0.90 CHRM4 (0.44) ITGB3ITGA2BF2F10PLG
SCHEMBL2898000 0.90 CHRM4 (0.44) ITGB3ITGA2BF2F10PLG
SCHEMBL2903784 0.89 CALCRL (0.48) ITGB3ITGA2BF10TDP1CA1

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US claimed
EP-2215055-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Richter Gedeon Nyrt. (HU) 2010-08-11 EP claimed
WO-2009053763-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ BL ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-04-30 WO claimed
US-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US 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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 ITGB3 2533/4885ITGA2B 3023/4885F2 66/4885

“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.