SCHEMBL23630341

SCHEMBL23630341

CCCCCCc1ccc(S(=O)(=O)N2CC2C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.57
MMP3 P08254 9/20 0.57
MMP7 P09237 8/20 0.57
MMP13 P45452 8/20 0.57
MMP9 P14780 4/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
MMP2 P08253 2/20 0.46
ANPEP P15144 1/20 0.46
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FKBP1A P62942 2/20 0.45

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
SCHEMBL23630345 0.99 MMP1 (0.58) MMP1MMP3MMP7MMP13MMP9
SCHEMBL23630336 0.95 MMP1 (0.53) MMP1MMP3MMP7MMP13MMP9
SCHEMBL23630446 0.90 ALDH1A1 (0.54) MMP1MMP3MMP7MMP13ALDH1A1
SCHEMBL23630326 0.86 MMP1 (0.59) MMP1MMP3MMP7MMP13MMP9
SCHEMBL23630312 0.85 MMP1 (0.56) MMP1MMP3MMP7MMP13MMP9
SCHEMBL23630316 0.83 MMP1 (0.54) MMP1MMP3MMP7MMP13MMP9
SCHEMBL23630430 0.83 MMP3 (0.64) MMP1MMP3MMP7MMP13MMP9
SCHEMBL23630587 0.82 MMP1 (0.55) MMP1MMP3MMP7MMP13MMP9
SCHEMBL23630432 0.81 MMP1 (0.53) MMP1MMP3MMP7MMP13CA2
SCHEMBL541908 0.78 ALDH1A1 (0.76) ALDH1A1KMT2AMMP2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039836-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2023-02-09 US claimed
EP-4087651-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP claimed
WO-2021141506-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE Uniwersytet Jagielloński (PL) 2021-07-15 WO claimed
EP-4087651-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP disclosed
WO-2021141506-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE Uniwersytet Jagielloński (PL) 2021-07-15 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-20230039836-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE PDIA3, PDIA5, PDIA6 MMP1 2915/4885MMP3 1331/4885MMP7 1904/4885

“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.