SCHEMBL16004841

SCHEMBL16004841

COC(=O)C1(NS(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.61
MMP13 P45452 16/20 0.61
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
MMP8 P22894 3/20 0.52
MMP3 P08254 2/20 0.52
MMP12 P39900 1/20 0.52
MMP14 P50281 1/20 0.52
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HSD11B1 P28845 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GAA P10253 1/20 0.43

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
SCHEMBL17462006 0.86 CYP3A4 (0.52) MMP1MMP13MMP2MMP9MMP8
SCHEMBL16004952 0.85 MMP1 (0.52) MMP1MMP13MMP2MMP9MMP8
SCHEMBL16013385 0.83 MMP1 (0.62) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6796931 0.81 MMP1 (0.58) MMP1MMP13MMP2MMP9MMP8
SCHEMBL7208581 0.80 MMP1 (0.77) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6801915 0.80 MMP1 (0.59) MMP1MMP13MMP2MMP9MMP8
SCHEMBL27618200 0.79 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP8
SCHEMBL27415619 0.78 MMP1 (0.76) MMP1MMP13MMP2MMP9MMP8
SCHEMBL643982 0.78 MMP1 (0.55) MMP1MMP13MMP2MMP9MMP8
SCHEMBL6962211 0.77 MMP1 (0.83) MMP1MMP13MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 US disclosed
EP-2964615-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS Ario Pharma Limited (GB) 2016-01-13 EP disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 EP 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 MMP1 2584/4885MMP13 3501/4885MMP2 3774/4885
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 MMP1 3849/4885MMP13 4270/4885MMP2 3797/4885

“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.