SCHEMBL1758542

SCHEMBL1758542

O=S(=O)(Cl)Cc1cc(F)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.62
PSEN2 P49810 6/20 0.62
APH1B Q8WW43 6/20 0.62
NCSTN Q92542 6/20 0.62
APH1A Q96BI3 6/20 0.62
PSENEN Q9NZ42 6/20 0.62
SGK1 O00141 1/20 0.38
DPP4 P27487 3/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
GRM4 Q14833 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 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
SCHEMBL16235297 0.84 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1972231 0.84 IDO1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16046605 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2376623 0.80 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30408547 0.80 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2376628 0.80 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14378223 0.78 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4428882 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4834548 0.78 IDO1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3256690 0.77 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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-9932303-B2 N-hydroxymethanesulfonamide nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2018-04-03 US disclosed
EP-3126329-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-02-08 EP disclosed
CN-102712634-B Heteroaryl piperidine and heteroaryl bridged piperazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-06 CN disclosed
US-20160046569-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2016-02-18 US disclosed
WO-2015109210-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
US-7655675-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-02-02 US disclosed
US-20050075320-A1 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2005-04-07 US disclosed
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 PSEN1 1846/4885PSEN2 2258/4885APH1B 1173/4885
US-20050075320-A1 Gamma-secretase inhibitors BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 9/4885
US-20160046569-A1 N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS TNNI3, TNNC1, TNNT2 PSEN1 1132/4885PSEN2 994/4885APH1B 3235/4885

“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.