SCHEMBL16248179

SCHEMBL16248179

CC(C)c1ncc(S(C)(=O)=O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.42
HSP90AA1 P07900 2/20 0.36
GLP1R P43220 2/20 0.36
ENPP2 Q13822 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
MAP4K4 O95819 3/20 0.33
MINK1 Q8N4C8 2/20 0.33
TNIK Q9UKE5 2/20 0.33
FYN P06241 2/20 0.33
LRRK2 Q5S007 1/20 0.32
PTGS2 P35354 2/20 0.32
GPR55 Q9Y2T6 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL16248204 0.84 ABL1 (0.36) S100A9PIK3C3
SCHEMBL16248199 0.83 ALDH1A1 (0.34) S100A9
SCHEMBL15035937 0.80 GLP1R (0.37) S100A9GLP1RAKR1C3AKR1C2PTGS2
SCHEMBL16248194 0.79 LOXL2 (0.34) S100A9
SCHEMBL15035942 0.79 GLP1R (0.46) S100A9GLP1RLRRK2PTGS2
SCHEMBL12414640 0.79 SCD (0.39) GLP1RPTGS2GPR55PTGS1
SCHEMBL17703477 0.76 S100A9 (0.44) S100A9ENPP2MAP4K4MINK1TNIK
SCHEMBL4334828 0.72 GABRA1 (0.33) PTGS1
SCHEMBL24249007 0.71 KDM4E (0.44) PTGS1
SCHEMBL16248205 0.71 GABRA1 (0.42) PTGS1

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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 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 (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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 S100A9 1/4885HSP90AA1 360/4885GLP1R 3341/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B S100A9 1/4885HSP90AA1 723/4885GLP1R 3058/4885

“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.