SCHEMBL3386780

SCHEMBL3386780

O=S(=O)(Cl)Cc1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
ALDH1A1 P00352 4/20 0.38
MCL1 Q07820 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 3/20 0.38
IDO1 P14902 2/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
KDR P35968 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL271766 0.83 IDO1 (0.52) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16235297 0.82 PSEN1 (0.53) ALDH1A1MEN1KMT2ACYP3A4IDO1
SCHEMBL2375264 0.82 CSNK2A1 (0.40) TP53ALDH1A1MCL1MEN1KMT2A
SCHEMBL13321612 0.82 CYP3A4 (0.41) TP53ALDH1A1MCL1MEN1KMT2A
SCHEMBL2375257 0.82 TP53 (0.39) TP53ALDH1A1MCL1MEN1KMT2A
SCHEMBL14378225 0.80 FLT1 (0.42) TP53ALDH1A1MCL1MEN1KMT2A
SCHEMBL271289 0.80 IDO1 (0.37) ALDH1A1KMT2AIDO1HPGDMAPT
SCHEMBL5696976 0.80 POLB (0.39) TP53ALDH1A1MCL1MEN1KMT2A
SCHEMBL27536511 0.80 FLT1 (0.40) TP53ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16046605 0.80 PSEN1 (0.47) ALDH1A1MEN1KMT2ACYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126329-B1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-05-29 EP disclosed
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-9932303-B2 N-hydroxymethanesulfonamide nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2018-04-03 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
EP-3126329-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-02-08 EP disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
US-20160046569-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2016-02-18 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-2015109210-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 WO disclosed
EP-1933835-B1 TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES AS LFA-1 INHIBITORS NOVARTIS AG (CH) 2010-12-08 EP disclosed
US-20080242710-A1 Pharmaceutically Active Tetrahydro-Pyrrolo[1,2-B]Isothiazole 1,1-Dioxides BAUMANN KARL 2008-10-02 US disclosed
EP-1933835-A1 PHARMACEUTICALLY ACTIVE TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES Novartis AG (CH) 2008-06-25 EP disclosed
WO-2007039616-A1 PHARMACEUTICALLY ACTIVE TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-1994018165-A1 SULFONAMIDE COMPOUNDS AS OPIOID K-RECEPTOR AGONISTS PFIZER INC. (US) 1994-08-18 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 (5 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 TP53 226/4885ALDH1A1 4109/4885MCL1 3215/4885
US-20080242710-A1 Pharmaceutically Active Tetrahydro-Pyrrolo[1,2-B]Isothiazole 1,1-Dioxides ICAM1, VCAM1, SELPLG TP53 1066/4885ALDH1A1 57/4885MCL1 181/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 TP53 226/4885ALDH1A1 4109/4885MCL1 3215/4885
US-20160046569-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS TNNI3, TNNC1, TNNT2 TP53 1977/4885ALDH1A1 2178/4885MCL1 2375/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B TP53 207/4885ALDH1A1 4370/4885MCL1 2207/4885

“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.