SCHEMBL1945898

SCHEMBL1945898

COc1ccc(S(=O)(=O)N=C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
PKM P14618 6/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
MMP1 P03956 1/20 0.47

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
SCHEMBL5653955 0.83 F2 (0.37) F2PRSS1PRSS2PRSS3PKM
SCHEMBL6920362 0.79 PKM (0.64) F2PRSS1PRSS2PRSS3PKM
SCHEMBL7834461 0.79 CA12 (0.48) GAACA1CA2CA9CA12
SCHEMBL7833337 0.78 SOS1 (0.55) ALDH1A1KMT2ACA1CA2MMP1
SCHEMBL22302 0.78 F2 (0.52) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL7301521 0.78 PKM (0.61) F2PRSS1PRSS2PRSS3PKM
SCHEMBL11868737 0.78 KEAP1 (0.48) F2PRSS1PRSS2PRSS3PKM
SCHEMBL25513051 0.78 PKM (0.47) F2PRSS1PRSS2PRSS3PKM
SCHEMBL9870656 0.77 DRD1 (0.39) F2PRSS1PRSS2PRSS3PKM
SCHEMBL7465466 0.77 POLB (0.59) F2PRSS1PRSS2PRSS3KMT2A

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10287801-A None JP disclosed
US-12139461-B1 Piperidine compounds as PDE5 inhibitors KING SAUD UNIVERSITY (SA) 2024-11-12 US disclosed
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
EP-2069309-A1 ION CHANNEL MODULATORS&USES THEREOF Lectus Therapeutics Limited (GB) 2009-06-17 EP disclosed
EP-2066317-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES Lectus Therapeutics Limited (GB) 2009-06-10 EP disclosed
WO-2008038053-A1 ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO disclosed
US-7030274-B2 Process for the production of carbodiimide modified organic isocyanates BAYER MATERIALSCIENCE LLC (US) 2006-04-18 US disclosed
US-20050282993-A1 Process for the production of carbodiimide modified organic isocyanates COVESTRO LLC 2005-12-22 US disclosed
EP-0172379-B1 MATERIAL FOR ORTHOPAEDIC BANDAGES BAYER AG (DE) 1989-04-19 EP disclosed
EP-0132675-B1 PREPARATIONS OF POLYISOCYNATE CONTAINING REVERSIBLY BLOCKED CATALYSTS, PROCESS FOR THEIR PRODUCTION, THEIR USE IN THE PRODUCTION OF POLYURETHANES, AND ADDITION PRODUCTS OF SULFONYLISOCYANATES ON CATALYSTS WITH A STRUCTURE OF CARBOXYLATES OF TIN II OR IV BAYER AG (DE) 1988-12-07 EP disclosed
EP-0232541-A2 Polyisocyanate compositions containing latent tin-catalysts, their use in the preparation of polyurethane resins and reaction products of sulfonyl isocyanates with selected tin compounds BAYER AG (DE) 1987-08-19 EP disclosed
US-4638795-A FOR MEDICAL AND VETERINARY USE; BASED ON POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
US-4614785-A TERTIARY PHOSPHINE OR PERALKYLATED PHOSPHORUS ACID TRIAMIDE CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1986-09-30 US disclosed
EP-0173252-A2 Process for the preparation of oligomeric polyisocyanates and their use in the preparation of polyurethane plastics BAYER AG (DE) 1986-03-05 EP disclosed
EP-0172379-A1 Material for orthopaedic bandages BAYER AG (DE) 1986-02-26 EP disclosed
EP-0132675-A2 Preparations of polyisocynate containing reversibly blocked catalysts, process for their production, their use in the production of polyurethanes, and addition products of sulfonylisocyanates on catalysts with a structure of carboxylates of tin II or IV BAYER AG (DE) 1985-02-13 EP disclosed
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US 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-12139461-B1 Piperidine compounds as PDE5 inhibitors PDE5A, PDE3A, PDE2A F2 4664/4885PRSS1 2494/4885PRSS2 3160/4885
US-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 F2 2497/4885PRSS1 1564/4885PRSS2 1883/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A F2 1383/4885PRSS1 1235/4885PRSS2 1257/4885

“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.