SCHEMBL6678702

SCHEMBL6678702

COC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.50
CA1 P00915 10/20 0.50
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
NAMPT P43490 1/20 0.40
KMT2A Q03164 1/20 0.39
PTGER4 P35408 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL6676099 0.81 CA2 (0.54) CA2CA1CA12CA9NAMPT
SCHEMBL6676336 0.81 ALDH1A1 (0.46) CA2CA1NAMPTPTGER4KDM5B
SCHEMBL6678526 0.80 HTR6 (0.47) CA2CA1CA12CA9KMT2A
SCHEMBL6693485 0.79 CA2 (0.47) CA2CA1CA12CA9NAMPT
SCHEMBL6679273 0.77 CA2 (0.46) CA2CA1NAMPTKMT2A
SCHEMBL31748114 0.76 CA2 (0.63) CA2CA1CA12CA9NAMPT
SCHEMBL6676358 0.76 CA2 (0.44) CA2CA1CA12CA9KMT2A
SCHEMBL1185780 0.74 CA2 (0.82) CA2CA1CA12CA9
SCHEMBL31618968 0.74 CA2 (0.63) CA2CA1CA12CA9NAMPT
SCHEMBL1936202 0.73 MGLL (0.55) CA2CA1NAMPTKMT2ANQO2

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 2 patents. 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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 696/4885CA1 2450/4885CA12 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.