SCHEMBL2852664

SCHEMBL2852664

NC(=O)c1cc(S(N)(=O)=O)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.56
CA1 P00915 7/20 0.56
CA9 Q16790 5/20 0.56
CA12 O43570 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CA3 P07451 1/20 0.56
CA13 Q8N1Q1 1/20 0.56
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
VCAM1 P19320 1/20 0.50
IKBKB O14920 2/20 0.48
CHUK O15111 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL11176923 0.85 CA1 (0.53) CA2CA1CA9CA12CA14
SCHEMBL1185864 0.85 LMNA (0.69) CA2CA1CA9CA12CA14
SCHEMBL27878677 0.84 LMNA (0.67) CA2CA1CA9CA12CA14
SCHEMBL7917776 0.84 CA1 (0.59) CA2CA1CA9CA12CA14
SCHEMBL7119073 0.81 CA2 (0.57) CA2CA1CA9CA12CA14
SCHEMBL7917819 0.81 CA1 (0.49) CA2CA1CA9CA12CA14
SCHEMBL13545061 0.80 CA1 (0.51) CA2CA1CA9CA12CA14
SCHEMBL1185698 0.80 ALDH1A1 (0.63) CA2CA1CA9CA12CA14
SCHEMBL13542955 0.80 CA1 (0.51) CA2CA1CA9CA12CA14
SCHEMBL11192298 0.80 CA2 (0.48) CA2CA1CA9CA12CA14

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 CA2 315/4885CA1 1399/4885CA9 2865/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CA2 315/4885CA1 1399/4885CA9 2865/4885

“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.