SCHEMBL7113271

SCHEMBL7113271

NC(=O)c1c[c]ccc1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.56
CHUK O15111 2/20 0.42
CA2 P00918 10/20 0.42
CA1 P00915 9/20 0.42
CA9 Q16790 7/20 0.41
CA12 O43570 6/20 0.41
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BRD4 O60885 1/20 0.40
MAPT P10636 1/20 0.40
TDO2 P48775 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
NOS1 P29475 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL16720385 0.83 CA2 (0.47) IKBKBCHUKCA2CA1CA9
SCHEMBL17784452 0.81 IKBKB (0.67) IKBKBCHUKCA2CA1CA9
SCHEMBL16719394 0.80 IKBKB (0.44) IKBKB
SCHEMBL28078565 0.80 IKBKB (0.65) IKBKBCHUKCA2CA1CA9
SCHEMBL3165969 0.80 BAZ2B (0.44) BRD4
SCHEMBL4638595 0.79 HPGDS (0.46)
SCHEMBL4631064 0.79 TLR8 (0.45) BRD4MAPT
SCHEMBL2637648 0.78 BCAT2 (0.61) IKBKBCHUKBRD4MAPT
SCHEMBL28078718 0.77 IKBKB (0.65) IKBKBCHUKCA2CA1CA9
SCHEMBL4916850 0.77 PARP1 (0.49) IKBKBMAPT

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-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 US claimed
US-20030135055-A1 Aminosulfonylbiphenyl derivatives MERCK PATENT GMBH (DE) 2003-07-17 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-20030135055-A1 Aminosulfonylbiphenyl derivatives APOB, F12, SERPINB1 IKBKB 28/4885CHUK 61/4885CA2 3516/4885

“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.