SCHEMBL16235320

SCHEMBL16235320

COc1cc(Cl)nnc1NS(=O)(=O)Cc1cc(F)cc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 5/20 0.40
▸ ACLY P53396 2/20 0.37
▸ PDE5A O76074 5/20 0.36
▸ EPAS1 Q99814 2/20 0.34
▸ APLNR P35414 3/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ ALPL P05186 1/20 0.33

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
SCHEMBL16235105 0.84 PDE5A (0.45) S100A9PDE5APTGES2ALDH1A1MAPK1
SCHEMBL16235425 0.84 ACLY (0.45) ACLYALDH1A1ALPL
SCHEMBL16235158 0.84 S100A9 (0.53) S100A9ACLY
SCHEMBL16235290 0.81 S100A9 (0.45) S100A9ACLYPDE5APTGES2ALPL
SCHEMBL16235313 0.81 S100A9 (0.49) S100A9ACLYALDH1A1MAPK1PTK2B
SCHEMBL16235088 0.79 S100A9 (0.56) S100A9PDE5APTGES2ALPL
SCHEMBL29985394 0.72 S100A9 (0.64) S100A9ACLY
SCHEMBL16235987 0.72 S100A9 (0.64) S100A9ACLY
SCHEMBL16235422 0.71 ACLY (0.56) ACLYALDH1A1ALPL
SCHEMBL16235301 0.71 S100A9 (0.69) S100A9ACLYALPL

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 1/4885ACLY 4724/4885PDE5A 4865/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 S100A9 1/4885ACLY 4724/4885PDE5A 4865/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B S100A9 1/4885ACLY 4827/4885PDE5A 4862/4885

“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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