SCHEMBL7817477

SCHEMBL7817477

NNS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
MMP1 P03956 1/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
F2 P00734 3/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.47
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 4/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL1706125 0.87 SMN1; SMN2 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL3065124 0.80 ALDH1A1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL6927050 0.80 CA1 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL6241936 0.78 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL11314864 0.76 CA2 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL334232 0.76 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL2164002 0.76 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL250755 0.76 GAA (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL2444492 0.76 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL2444494 0.76 SMN1; SMN2 (0.64) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117535689-A Method for synthesizing sulfonamide through decarbonylation of N, N-dimethylformamide and denitrification of sulfonyl hydrazide under electrochemical condition 湘潭大学 2024-02-09 CN claimed
CN-117535689-A Method for synthesizing sulfonamide through decarbonylation of N, N-dimethylformamide and denitrification of sulfonyl hydrazide under electrochemical condition 湘潭大学 2024-02-09 CN disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
EP-0650480-B1 1-ARYLSULPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMA CORP (US) 2001-11-21 EP disclosed
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 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-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 CA1 2799/4885CA2 2357/4885MMP1 1867/4885

“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.