SCHEMBL16235337

SCHEMBL16235337

COc1cnc(Cl)nc1NS(=O)(=O)Cc1cc(C#N)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 4/20 0.54
▸ LRRK2 Q5S007 1/20 0.41
▸ ALPL P05186 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTGES2 Q9H7Z7 2/20 0.39
▸ SLC22A12 Q96S37 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDE5A O76074 3/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL16235469 0.84 S100A9 (0.60) S100A9PTGES2SLC22A12KDM4E
SCHEMBL16235088 0.81 S100A9 (0.56) S100A9ALPLPTGES2SLC6A4PDE5A
SCHEMBL16235384 0.77 S100A9 (0.67) S100A9KDM4E
SCHEMBL16235290 0.71 S100A9 (0.45) S100A9ALPLPTGES2SLC22A12SLC6A4
SCHEMBL16235308 0.71 S100A9 (0.59) S100A9PTGES2SLC22A12SLC6A4KDM4E
SCHEMBL16235285 0.70 CCR4 (0.61) —
SCHEMBL2061316 0.69 LRRK2 (0.70) LRRK2
SCHEMBL2061366 0.69 LRRK2 (0.57) LRRK2KDM4EPDE5A
SCHEMBL16235642 0.69 S100A9 (0.48) S100A9LRRK2KDM4ESCN9A
SCHEMBL16235448 0.69 HCRTR2 (0.41) LRRK2ALPLSLC22A12KDM4ESCN9A

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 1/4885LRRK2 717/4885ALPL 2152/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 S100A9 1/4885LRRK2 717/4885ALPL 2152/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B S100A9 1/4885LRRK2 415/4885ALPL 2767/4885

“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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