SCHEMBL617098

SCHEMBL617098

CCCCCNS(=O)(=O)c1ccccc1C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.79
CA9 Q16790 5/20 0.79
RECQL P46063 1/20 0.61
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 2/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL3336990 0.88 CA12 (1.00) CA12CA9RECQLMEN1KMT2A
SCHEMBL9490269 0.87 CA12 (0.97) CA12CA9RECQLMEN1KMT2A
SCHEMBL9490703 0.87 CA12 (0.97) CA12CA9RECQLMEN1KMT2A
SCHEMBL10766816 0.87 CA12 (0.97) CA12CA9RECQLMEN1KMT2A
SCHEMBL28854350 0.86 CA9 (0.62) CA12CA9RECQLLMNAKDM4E
SCHEMBL4669671 0.85 CA9 (0.58) CA12CA9RECQLMAPTPOLB
SCHEMBL8062917 0.84 CA9 (0.74) CA12CA9RECQLMEN1KMT2A
SCHEMBL875442 0.83 CA12 (0.63) CA12CA9RECQLMEN1KMT2A
SCHEMBL4068334 0.80 RECQL (0.66) CA12CA9RECQLMEN1KMT2A
SCHEMBL7111715 0.80 CA12 (0.67) CA12CA9RECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427281-B1 HERBICIDE AND SAFENING COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-11-21 EP claimed
EP-1791425-A2 SAFENING METHOD Bayer CropScience AG (DE) 2007-06-06 EP claimed
US-20070021303-A1 Safening method BAYER CROPSCIENCE AG (DE) 2007-01-25 US claimed
US-20070010399-A1 Crop plant-compatible herbicidal compositions comprising herbicides and safeners BAYER CROPSCIENCE GMBH (DE) 2007-01-11 US claimed
US-7101827-B2 Herbicides comprising benzoylcyclohexanediones and safeners AVENTIS CROPSCIENCE GMBH (DE) 2006-09-05 US claimed
EP-1453378-B1 HERBICIDAL AGENTS CONTAINING BENZOYLPYRAZOLES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2006-08-23 EP claimed
EP-1515606-B1 COMBINATIONS OF HERBICIDAL AROMATIC CARBOXYLIC ACIDS AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2006-04-26 EP claimed
EP-1213966-B1 NEW HERBICIDAL COMPOSITIONS BAYER CROPSCIENCE LTD (GB) 2006-04-19 EP claimed
EP-1383382-B1 HERBICIDAL AGENT COMPRISING BENZOYLCYCLOHEXANEDIONES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2006-03-08 EP claimed
US-20060030485-A1 Herbicide/safener combinations AVENTIS CROPSCIENCE GMBH 2006-02-09 US claimed
WO-2003103394-A2 COMBINATIONS OF HERBICIDAL AROMATIC CARBOXYLIC ACIDS AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2003-12-18 WO claimed
EP-1130965-B1 COMBINATIONS OF HERBICIDES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2003-10-29 EP claimed
US-20030171220-A1 Combinations of herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-09-11 US claimed
US-20030158039-A1 Herbicidal compositions comprising benzoylpyrazoles and safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-21 US claimed
US-20030130120-A1 Combinations of herbicides and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-07-10 US claimed
US-20030078167-A1 Herbicides comprising benzoylcyclohexanediones and safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-04-24 US claimed
EP-1019368-B1 ACYLSULFAMOYL BENZOIC ACID AMIDES, PLANT PROTECTION AGENTS CONTAINING SAID ACYLSULFAMOYL BENZOIC ACID AMIDES, AND METHOD FOR PRODUCING THE SAME BAYER CROPSCIENCE GMBH (DE) 2003-03-05 EP claimed
US-6511940-B1 Mixture of isoxazole derivative or cyclohexen-3-one derivative with antidote comprising quinoline, isoxazole, pyrazole or N-acylsulfonamide derivative HOECHST SCHERING AGREVO GMBH (DE) 2003-01-28 US claimed
US-6251827-B1 MIXTURE OF PLANT SAFENING AGENT AND ONE OR MORE PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 2001-06-26 US claimed
CN-1272106-A Acylsulfamoylbenzamides, crop protection compositions containing them and processes for their preparation HOECHST SCHERING AGREVO GMBH (DE) 2000-11-01 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20070021303-A1 Safening method BCL2, BCL2L11, CYP51A1 CA12 752/4885CA9 272/4885RECQL 3762/4885
US-20060030485-A1 Herbicide/safener combinations DDT, DERL1, SLC16A7 CA12 2268/4885CA9 759/4885RECQL 3535/4885
US-20070010399-A1 Crop plant-compatible herbicidal compositions comprising herbicides and safeners DDT, HACL2, CBR3 CA12 1274/4885CA9 1202/4885RECQL 622/4885
US-20030171220-A1 Combinations of herbicides and safeners DDT, CYP2B6, CYP2A6 CA12 1178/4885CA9 619/4885RECQL 1690/4885
US-20030158039-A1 Herbicidal compositions comprising benzoylpyrazoles and safeners DDT, CYP4Z1, HDHD5 CA12 3985/4885CA9 3323/4885RECQL 554/4885
US-20030078167-A1 Herbicides comprising benzoylcyclohexanediones and safeners DDT, HPD, HDHD5 CA12 2465/4885CA9 1683/4885RECQL 2186/4885
US-20030130120-A1 Combinations of herbicides and safeners DDT, GSTO1, CYP2W1 CA12 2447/4885CA9 2218/4885RECQL 695/4885

“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.