SCHEMBL6809995

SCHEMBL6809995

CCOC(=O)c1cccc(-c2cccc(S(=O)(=O)c3ccc(C[C@@H](C)N)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
ACACB O00763 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
NR1H2 P55055 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6804596 0.94 CA2 (0.50) CA2ACACBCA12CA1CA9
SCHEMBL6540991 0.93 CA2 (0.53) CA2ACACBALDH1A1MAPK1TP53
SCHEMBL6539692 0.85 KMT2A (0.50) CA2CA12CA1CA9ALDH1A1
SCHEMBL6540106 0.85 KMT2A (0.50) CA2CA12CA1CA9ALDH1A1
SCHEMBL6810119 0.84 CA2 (0.48) CA2ACACBCA12CA1CA9
SCHEMBL6805111 0.83 ACACB (0.48) CA2ACACBALDH1A1MAPK1
SCHEMBL6540683 0.80 CA2 (0.40) CA2CA12CA1CA9
SCHEMBL3177245 0.79 CA2 (0.54) CA2MAPK1TP53
SCHEMBL6677922 0.79 CA2 (0.49) CA2CA12CA1CA9ALDH1A1
SCHEMBL6682563 0.79 ADRB3 (0.57)

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 696/4885ACACB 1800/4885CA12 1959/4885

“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.