SCHEMBL16235429

SCHEMBL16235429

COc1cc(Cl)nnc1NS(=O)(=O)c1ccc(C#N)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 4/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.43
▸ ACLY P53396 1/20 0.43
▸ PDE5A O76074 5/20 0.42
▸ PTGES2 Q9H7Z7 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ CCR4 P51679 2/20 0.41
▸ BRD4 O60885 2/20 0.40
▸ BRD1 O95696 2/20 0.40
▸ BRPF1 P55201 2/20 0.40
▸ BRD9 Q9H8M2 2/20 0.40
▸ BRPF3 Q9ULD4 2/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ BRD7 Q9NPI1 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL16235422 0.83 ACLY (0.56) ALPLACLYSLC22A12CCR4BRD1
SCHEMBL16235532 0.82 SLC22A12 (0.41) TRPV4ACLYPTGES2SLC22A12PIK3C3
SCHEMBL16235088 0.79 S100A9 (0.56) ALPLPDE5APTGES2
SCHEMBL16235105 0.78 PDE5A (0.45) ALPLPDE5APTGES2ALDH1A1
SCHEMBL16235425 0.77 ACLY (0.45) ALPLACLYSLC22A12TRIM24ALDH1A1
SCHEMBL5736375 0.76 CCR4 (0.59) PTGES2CCR4ALDH1A1
SCHEMBL16235290 0.75 S100A9 (0.45) ALPLACLYPDE5APTGES2SLC22A12
SCHEMBL16235224 0.72 S100A9 (0.49) ACLYCCR4
SCHEMBL16235075 0.71 ALDH1A1 (0.58) CCR4ALDH1A1TP53TSHRNPSR1
SCHEMBL16235320 0.70 S100A9 (0.40) ALPLACLYPDE5APTGES2ALDH1A1

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 ALPL 2152/4885TRPV4 1698/4885ACLY 4724/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 ALPL 2152/4885TRPV4 1698/4885ACLY 4724/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B ALPL 2767/4885TRPV4 887/4885ACLY 4827/4885

“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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