SCHEMBL3608698

SCHEMBL3608698

Cc1cc(C)c(NS(=O)(=O)NC(=O)OC(C)(C)C)c(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.41
CA14 Q9ULX7 4/20 0.41
CA1 P00915 4/20 0.41
CA7 P43166 2/20 0.41
CA2 P00918 3/20 0.40
LCK P06239 3/20 0.33
CA9 Q16790 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL4209658 0.80 LCK (0.42) CA12CA1LCKCA9
SCHEMBL3606022 0.80 ALOX5 (0.38) CA12CA14CA1CA7CA2
SCHEMBL18519525 0.71 CA12 (0.49) CA12CA14CA1CA7CA2
SCHEMBL2842545 0.70 KEAP1 (0.39) CA12CA1CA2CA9
SCHEMBL8237935 0.69 CA12 (0.50) CA12CA14CA1CA7CA2
SCHEMBL16038956 0.67 CA12 (0.62) CA12CA14CA1CA7CA2
SCHEMBL14667355 0.66 HTT (0.53) CA12CA14CA1CA7CA2
SCHEMBL25620110 0.66 CA12 (0.48) CA12CA1LCKCA9
SCHEMBL31432339 0.66 KDM4A (0.44) CA1CA2
SCHEMBL19808335 0.66 CA1 (0.47) CA12CA14CA1CA7CA2

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT CA12 2370/4885CA14 3164/4885CA1 1914/4885

“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.