SCHEMBL16235442

SCHEMBL16235442

O=C(O)c1cccc(S(=O)(=O)Nc2ncc(Br)nc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ CCR4 P51679 2/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ MEP1B Q16820 1/20 0.46
▸ PIK3C2B O00750 1/20 0.45
▸ PIK3C2G O75747 1/20 0.45
▸ PFKFB3 Q16875 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL16235261 0.84 CCR4 (0.46) KMT2ACCR4MEN1MAPT
SCHEMBL16235195 0.75 CCR4 (0.71) CCR4
SCHEMBL16235480 0.75 CCR4 (0.67) CCR4
SCHEMBL16020314 0.72 KDM4E (0.55) KMT2AAKR1C3MEN1KDM4ETSHR
SCHEMBL19558648 0.72 KDM4E (0.52) KMT2AAKR1C3MEN1KDM4ETSHR
SCHEMBL4253424 0.71 MEN1 (0.79) KMT2AAKR1C3MEN1PFKFB3MAPT
SCHEMBL16235419 0.71 KDM4E (0.56) KMT2AAKR1C3MEN1KDM4ETSHR
SCHEMBL30702319 0.70 PFKFB3 (0.76) KMT2AAKR1C3MEN1KDM4ETSHR
SCHEMBL30702318 0.70 PFKFB3 (0.76) KMT2AAKR1C3MEN1KDM4ETSHR
SCHEMBL4063367 0.70 PFKFB3 (0.76) KMT2AAKR1C3MEN1KDM4ETSHR

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 KMT2A 3107/4885AKR1C3 4789/4885CCR4 4428/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 KMT2A 3107/4885AKR1C3 4789/4885CCR4 4428/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B KMT2A 4315/4885AKR1C3 4688/4885CCR4 4504/4885

“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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