SCHEMBL6342102

SCHEMBL6342102

CC(=O)Nc1ccc2ccc3c(C(N)=O)nn(-c4ccc(S(N)(=O)=O)cc4)c3c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.48
CA1 P00915 9/20 0.48
CA9 Q16790 8/20 0.48
CA12 O43570 7/20 0.48
PTGS2 P35354 5/20 0.44
PTGS1 P23219 1/20 0.43
AMY1A P0DUB6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
IKBKB O14920 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CA4 P22748 1/20 0.41
TTK P33981 2/20 0.40

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
SCHEMBL6345751 0.88 CA1 (0.44) CA2CA1CA9CA12PTGS2
SCHEMBL6345689 0.85 CA9 (0.44) CA2CA1CA9CA12PTGS2
SCHEMBL6342809 0.85 PTGS2 (0.49) CA2CA1CA9CA12PTGS2
SCHEMBL6340626 0.85 KMT2A (0.55) CA2CA1CA9CA12PTGS2
SCHEMBL6343217 0.84 PTGS2 (0.47) CA2CA1CA9CA12PTGS2
SCHEMBL6344535 0.84 KMT2A (0.54) CA2CA1CA9CA12PTGS2
SCHEMBL6343697 0.83 PTGS2 (0.46) CA2CA1CA9CA12PTGS2
SCHEMBL6342129 0.83 PTGS2 (0.55) CA2CA1CA9CA12PTGS2
SCHEMBL6355052 0.82 L3MBTL1 (0.48) CA2CA1CA9CA12PTGS2
SCHEMBL6353488 0.82 ALDH1A1 (0.48) CA2CA1CA9CA12PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438293-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-07-21 EP claimed
US-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-07-03 US claimed
WO-2003027075-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-04-03 WO claimed
US-6849653-B2 1H-benzo(g)indazole compounds as anticarcinogenic agents and also treat arthritis PHARMACIA CORPORATION (US) 2005-02-01 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-20030125361-A1 Substituted pyrazolyl benzenesulfamide compounds for the treatment of inflammation IRAK4, NLRP3, CXCL8 CA2 4013/4885CA1 3893/4885CA9 2253/4885

“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.