SCHEMBL10033367

SCHEMBL10033367

Cc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(S(=O)(=O)O)ccc2O)COC=O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
CA2 P00918 16/20 0.34
CA1 P00915 15/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CA4 P22748 6/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL934352 0.83 ALDH1A1 (0.46) CA2CA1CA12CA9KDM4E
SCHEMBL935363 0.82 ALDH1A1 (0.45) CA2CA1CA12CA9KDM4E
SCHEMBL11843588 0.80 CA1 (0.47) CA2CA1CA12CA9KDM4E
SCHEMBL545256 0.80 HTT (0.48) SRCKDM4EALDH1A1HPGDHTT
SCHEMBL23629772 0.78 HTT (0.47) SRCKDM4EALDH1A1HPGDHTT
SCHEMBL935095 0.78 HTT (0.47) SRCKDM4EALDH1A1HPGDHTT
SCHEMBL935126 0.78 HTT (0.47) SRCKDM4EALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL934885 0.78 HTT (0.47) SRCKDM4EALDH1A1HPGDHTT
SCHEMBL5797761 0.78 ALDH1A1 (0.49) CA2CA1CA12CA9KDM4E
SCHEMBL9549613 0.77 ALDH1A1 (0.47) CA2CA1CA12CA9KDM4E

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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 SRC 2261/4885CA2 12/4885CA1 3/4885

“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.