SCHEMBL12831717

SCHEMBL12831717

COc1ccc(Cl)cc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.61
MEN1 O00255 1/20 0.61
ABCC3 O15438 1/20 0.61
ABCC4 O15439 1/20 0.61
ABCC9 O60706 1/20 0.61
ABCB11 O95342 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CFTR P13569 1/20 0.61
TSHR P16473 1/20 0.61
HTR2A P28223 1/20 0.61
CYP2C19 P33261 1/20 0.61
PPARG P37231 1/20 0.61
HTR2B P41595 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL341906 0.89 HPGD (0.55) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL3655826 0.84 KCNA3 (0.52) MEN1LMNAKMT2AFLT1FLT4
SCHEMBL29687002 0.84 KCNA3 (0.52) MEN1LMNAKMT2AFLT1FLT4
SCHEMBL120129 0.84 KCNA3 (0.52) MEN1LMNAKMT2AFLT1FLT4
SCHEMBL3304856 0.84 FLT1 (0.67) NLRP3MEN1LMNAKMT2AFLT1
SCHEMBL14303671 0.84 FLT1 (0.59) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL881108 0.84 FLT1 (0.63) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL14391687 0.83 LMNA (0.67) NLRP3LMNAFLT1FLT4KDR
SCHEMBL14507295 0.80 DNMT3A (0.56) NLRP3MEN1ABCC3ABCC4ABCC9
SCHEMBL14507930 0.79 ALDH1A1 (0.70) NLRP3ALDH1A1LMNAFLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920383-B2 Active substances for increasing the stress defense in plants to abiotic stress, and methods of finding them BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-20 US disclosed
EP-2227458-B1 Chiral 2-(Benzylsulfinyl)-thiazol derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]-thiazol derivatives with S-configuration as herbicide plant growth regulators BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2227457-B1 CHIRAL 3-(BENZYLSULFINYL)-5,5-DIMETHYL-4,5-DIHYDROISOXAZOLE AND 5,5-DIMETHYL-3-[(1H-PYRAZOL-4-YLMETHYL) SULFINYL]-4,5-DIHYDROISOXAZOLE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-05-04 EP disclosed
US-8901040-B2 Active substances for increasing the stress defense in plants to abiotic stress, and methods of finding them BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-02 US disclosed
US-20140349849-A1 Active Substances for Increasing the Stress Defense in Plants to Abiotic Stress, and Methods of Finding Them BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-11-27 US disclosed
US-8895471-B2 Chiral3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1h-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihyddroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-11-25 US disclosed
US-8754234-B2 Chiral 2-(benzylsulfinyl)thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-06-17 US disclosed
US-8754234-B2 Chiral 2-(benzylsulfinyl)thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-06-17 US disclosed
US-8420570-B2 Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihydroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulations BAYER CROPSCIENCE AG (DE) 2013-04-16 US disclosed
US-8420570-B2 Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihydroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulations BAYER CROPSCIENCE AG (DE) 2013-04-16 US disclosed
EP-2065373-A1 Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl) sulfinyl]-4,5-dihydroisoxazole derivatives, methods for their preparation and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2009-06-03 EP disclosed
EP-2065374-A1 2-(benzyl- and 1H-pyrazol-4-ylmethyl)sulfinyl-thiazol-derivatives as herbicides and plant growth regulators Bayer CropScience AG (DE) 2009-06-03 EP disclosed
WO-2009018885-A1 DIOXAZINYL-SUBSTITUTED FURYL-SULFONYL-AMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-02-12 WO disclosed
US-20070124839-A1 Active substances for increasing the stress defense in plants to abiotic stress, and methods of finding them BAYER CROPSCIENCE GMBH (DE) 2007-05-31 US disclosed
US-20070015661-A1 Herbicide/safener combination BAYER CROPSCIENCE GMBH (DE) 2007-01-18 US disclosed
WO-2007006409-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2007-01-18 WO disclosed
US-20070015662-A1 Herbicide/safener combination BAYER CROPSCIENCE GMBH (DE) 2007-01-18 US disclosed
WO-2007006416-A2 CULTIGEN-COMPATIBLE HERBICIDAL AGENTS CONTAINING HERBICIDES AND ACYLSULFAMOYLBENZAMIDE SAFENERS BAYER CROPSCIENCE AG (DE) 2007-01-18 WO disclosed
US-20070010399-A1 Crop plant-compatible herbicidal compositions comprising herbicides and safeners BAYER CROPSCIENCE GMBH (DE) 2007-01-11 US disclosed
WO-2007003296-A1 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2007-01-11 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-20070015662-A1 Herbicide/safener combination CYP2W1, CBR3, DDT NLRP3 4288/4885MEN1 3038/4885ABCC3 221/4885
US-20070015661-A1 Herbicide/safener combination CBR3, CBR1, GSR NLRP3 4170/4885MEN1 3439/4885ABCC3 170/4885
US-20070010399-A1 Crop plant-compatible herbicidal compositions comprising herbicides and safeners DDT, HACL2, CBR3 NLRP3 4386/4885MEN1 4136/4885ABCC3 226/4885
US-20140349849-A1 Active Substances for Increasing the Stress Defense in Plants to Abiotic Stress, and Methods of Finding Them HSF1, HSPA2, HSPA8 NLRP3 3472/4885MEN1 4778/4885ABCC3 1883/4885
US-20070124839-A1 Active substances for increasing the stress defense in plants to abiotic stress, and methods of finding them HSF1, HSPA2, HSPA8 NLRP3 3472/4885MEN1 4778/4885ABCC3 1883/4885

“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.