SCHEMBL7687869

SCHEMBL7687869

O=CNS(=O)(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.41
ADH1B P00325 5/20 0.41
ADH1C P00326 5/20 0.41
ADH4 P08319 2/20 0.41
ADH7 P40394 3/20 0.37
CA1 P00915 2/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL7687409 0.98 ADH1B (0.39) ADH1AADH1BADH1CADH4ADH7
SCHEMBL428006 0.93 ADH1B (0.39) ADH1AADH1BADH1CADH4ADH7
SCHEMBL426041 0.87
SCHEMBL17322191 0.74 CA1 (0.42) ADH1AADH1BADH1CADH4CA1
SCHEMBL5442008 0.70 CA1 (0.41) CA1CA12CA7CA14CA2
SCHEMBL22169646 0.70 CA1 (0.39) CA1CA12CA7CA14CA2
SCHEMBL21427076 0.70 CA1 (0.39) CA1CA12CA7CA14CA2
SCHEMBL21943789 0.70 CA1 (0.39) CA1CA12CA7CA14CA2
SCHEMBL13683211 0.70 CA1 (0.39) CA1CA12CA7CA14CA2
SCHEMBL8224007 0.70 CA1 (0.39) CA1CA12CA7CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4364739-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING KIDNEY INJURY, AND AUTOPHAGY ACTIVATOR OSAKA UNIVERSITY (JP) 2024-05-08 EP disclosed
US-11976062-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2024-05-07 US disclosed
EP-3789383-B9 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2024-02-28 EP disclosed
CN-117580577-A Pharmaceutical composition for preventing and/or treating kidney injury and autophagy activator 国立大学法人大阪大学 2024-02-20 CN disclosed
EP-3789383-B1 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2023-11-29 EP disclosed
WO-2023163203-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING RENAL DISEASE 国立大学法人大阪大学 2023-08-31 WO disclosed
WO-2023132208-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING HEART FAILURE 国立大学法人大阪大学 2023-07-13 WO disclosed
US-20230114195-A1 BENZISOXAZOLE COMPOUND KYOTO UNIVERSITY (JP) 2023-04-13 US disclosed
US-11548882-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2023-01-10 US disclosed
WO-2023276828-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING KIDNEY INJURY, AND AUTOPHAGY ACTIVATOR 国立大学法人大阪大学 2023-01-05 WO disclosed
US-20210238171-A1 BENZISOXAZOLE COMPOUND INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCES (JP) 2021-08-05 US disclosed
WO-2021079962-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF HEARING LOSS 国立大学法人大阪大学 2021-04-29 WO disclosed
EP-3789383-A1 BENZISOXAZOLE COMPOUND Osaka University (JP) 2021-03-10 EP disclosed
CN-112204017-A Benzisoxazole compounds 国立大学法人大阪大学 2021-01-08 CN disclosed
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-05 US disclosed
EP-2928297-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-10-14 EP disclosed
WO-2014086723-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-06-12 WO disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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 (6 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-20210238171-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 ADH1A 712/4885ADH1B 1207/4885ADH1C 1170/4885
US-11976062-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 ADH1A 714/4885ADH1B 1212/4885ADH1C 1167/4885
US-11548882-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 ADH1A 712/4885ADH1B 1207/4885ADH1C 1170/4885
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS AAK1, SYMPK, CBR1 ADH1A 946/4885ADH1B 3522/4885ADH1C 882/4885
US-20230114195-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 ADH1A 694/4885ADH1B 1196/4885ADH1C 1107/4885
US-20170333399-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, SLC10A2 ADH1A 556/4885ADH1B 771/4885ADH1C 1150/4885

“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.