SCHEMBL3754838

SCHEMBL3754838

O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.59
CA1 P00915 6/20 0.59
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL2903377 1.00 CA2 (0.59) CA2CA1CA12CA9TDP1
SCHEMBL2905078 0.92 TSHR (0.52) CA2CA1CA12CA9TDP1
SCHEMBL3744882 0.92 TSHR (0.52) CA2CA1CA12CA9TDP1
SCHEMBL3050377 0.92 TSHR (0.52) CA2CA1CA12CA9TDP1
SCHEMBL3746359 0.87 ITGB3 (0.47) CA2CA1CA12CA9TDP1
SCHEMBL2906079 0.87 ITGB3 (0.47) CA2CA1CA12CA9TDP1
SCHEMBL2906080 0.87 ITGB3 (0.47) CA2CA1CA12CA9TDP1
SCHEMBL3749426 0.87 CA2 (0.53) CA2CA1CA12CA9TDP1
SCHEMBL3044049 0.87 CA2 (0.53) CA2CA1CA12CA9TDP1
SCHEMBL2903708 0.86 ITGB3 (0.46) CA2CA1CA12CA9TDP1

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 1 patent. 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 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 CA2 2626/4885CA1 3486/4885CA12 4310/4885

“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.