SCHEMBL6804596

SCHEMBL6804596

CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(C[C@@H](C)N)cc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
ACACB O00763 1/20 0.44
NR1H2 P55055 1/20 0.43

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
SCHEMBL6809995 0.94 CA2 (0.49) CA2CA12CA1CA9ACACB
SCHEMBL6540991 0.90 CA2 (0.53) CA2ACACB
SCHEMBL6540106 0.86 KMT2A (0.50) CA2CA12CA1CA9
SCHEMBL6539692 0.86 KMT2A (0.50) CA2CA12CA1CA9
SCHEMBL6810119 0.85 CA2 (0.48) CA2CA12CA1CA9ACACB
SCHEMBL6680578 0.83 HPGD (0.42) CA12CA9NR1H2
SCHEMBL9467853 0.80 CYP1A2 (0.54) CA2CA12CA1CA9
SCHEMBL27542212 0.79 NPC1 (0.52)
SCHEMBL6677489 0.79 ALDH1A1 (0.47) CA2CA12CA1CA9ACACB
SCHEMBL6677426 0.79 ADRB3 (0.61)

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA2 696/4885CA12 1959/4885CA1 2450/4885

“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.