SCHEMBL16235088

SCHEMBL16235088

COc1cc(Cl)nnc1NS(=O)(=O)Cc1cc(C#N)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 2/20 0.56
▸ PDE5A O76074 12/20 0.42
▸ PTGES2 Q9H7Z7 2/20 0.42
▸ SLC6A4 P31645 2/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CMA1 P23946 1/20 0.36
▸ ALPL P05186 1/20 0.36

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
SCHEMBL16235290 0.90 S100A9 (0.45) S100A9PDE5APTGES2SLC6A4CMA1
SCHEMBL16235105 0.87 PDE5A (0.45) S100A9PDE5APTGES2ALPL
SCHEMBL16235308 0.84 S100A9 (0.59) S100A9PTGES2SLC6A4HTR2AKCNH2
SCHEMBL16235337 0.81 S100A9 (0.54) S100A9PDE5APTGES2SLC6A4HTR2A
SCHEMBL16235429 0.79 ALPL (0.45) PDE5APTGES2ALPL
SCHEMBL16235320 0.79 S100A9 (0.40) S100A9PDE5APTGES2ALPL
SCHEMBL16235422 0.76 ACLY (0.56) ALPL
SCHEMBL16235444 0.75 SMN1; SMN2 (0.33) S100A9
SCHEMBL16235537 0.73 S100A9 (0.48) S100A9PTGES2
SCHEMBL16235271 0.71 TSHR (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-11-13 — — US disclosed
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
EP-2925743-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2015-10-07 — — 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 (3 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-10125125-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors S100A9, S100B, S100A10 S100A9 1/4885PDE5A 4865/4885PTGES2 2209/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 S100A9 1/4885PDE5A 4865/4885PTGES2 2209/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B S100A9 1/4885PDE5A 4862/4885PTGES2 1252/4885

“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.

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