SCHEMBL1389232

SCHEMBL1389232

Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)NN(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.37
PTGS1 P23219 2/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
KMT2A Q03164 1/20 0.34
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAOA P21397 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31
KDM1A O60341 2/20 0.31
HPGD P15428 1/20 0.31
ERBB2 P04626 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31

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
Cyazofamid SCHEMBL22923 0.85 PTGS2 (0.38) PTGS2PTGS1CYP1A2CYP2C9CYP2C19
Cyazofamid SCHEMBL16180421 0.85 PTGS2 (0.38) PTGS2PTGS1CYP1A2CYP2C9CYP2C19
Cyazofamid SCHEMBL23804496 0.83 PTGS2 (0.37) PTGS2PTGS1CYP1A2CYP2C9CYP2C19
SCHEMBL4858808 0.83 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL7095742 0.81 PTGS2 (0.37) PTGS2PTGS1CYP1A2CYP2C9CYP2C19
SCHEMBL7644743 0.80 PTGS2 (0.38) PTGS2PTGS1CYP1A2CYP2C9CYP2C19
SCHEMBL9519740 0.76 PTGS2 (0.39) PTGS2PTGS1KMT2ASMN1; SMN2GAA
Cyazofamid SCHEMBL16910348 0.75 PTGS2 (0.32) PTGS2PTGS1MAOASMN1; SMN2
SCHEMBL6966414 0.74 MEN1 (0.39) PTGS2KMT2ASMN1; SMN2HTTLMNA
SCHEMBL1074601 0.72 TSHR (0.34) PTGS2KMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197495-A1 Synergistic Mixtures and/or Compositions With a High Fungicidal Activity ISAGRO S.P.A. (IT) 2010-08-05 US claimed
US-20090081174-A1 Synergistic fungicidal compositions ISAGRO S.P.A. (IT) 2009-03-26 US claimed
US-20060159772-A1 Fungicidal compositions ISAGRO S.P.A. (IT) 2006-07-20 US claimed
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP claimed
US-6448228-B1 FUNCTIONALIZED OLIGOPEPTIDE HAVING HIGH FUNGICIDAL ACTIVITY; ONE OR TWO ALIPHATIC AMINO ACIDS SUCH AS VALINE, LEUCINE AND ISOLEUCINE, CONJUGATED TO ONE OR TWO AROMATIC AMINO ACIDS, SUCH AS PHENYL-GLYCINE, PHENYLALANINE AND BETA-PHENYLALANINE ISAGRO RICERCA S.R.L. (IT) 2002-09-10 US claimed
EP-1028125-A1 Dipeptide compounds having fungicidal activity and their agronomic use Isagro Ricerca S.r.l. (IT) 2000-08-16 EP claimed
US-7968530-B2 Organic derivatives, their salts and use for the control of phytopathogens ISAGRO S.P.A (IT) 2011-06-28 US disclosed
US-20100197495-A1 Synergistic Mixtures and/or Compositions With a High Fungicidal Activity ISAGRO S.P.A. (IT) 2010-08-05 US disclosed
US-20090081174-A1 Synergistic fungicidal compositions ISAGRO S.P.A. (IT) 2009-03-26 US disclosed
US-20090029948-A1 Organic Derivatives, Their Salts and Use for the Control of Phytopathogens ISAGRO S.P.A. (IT) 2009-01-29 US disclosed
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP disclosed
US-6448228-B1 FUNCTIONALIZED OLIGOPEPTIDE HAVING HIGH FUNGICIDAL ACTIVITY; ONE OR TWO ALIPHATIC AMINO ACIDS SUCH AS VALINE, LEUCINE AND ISOLEUCINE, CONJUGATED TO ONE OR TWO AROMATIC AMINO ACIDS, SUCH AS PHENYL-GLYCINE, PHENYLALANINE AND BETA-PHENYLALANINE ISAGRO RICERCA S.R.L. (IT) 2002-09-10 US disclosed
EP-1028125-A1 Dipeptide compounds having fungicidal activity and their agronomic use Isagro Ricerca S.r.l. (IT) 2000-08-16 EP 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 (2 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-20090029948-A1 Organic Derivatives, Their Salts and Use for the Control of Phytopathogens ERG28, OAT, OSTC PTGS2 1928/4885PTGS1 2216/4885CYP1A2 69/4885
US-20090081174-A1 Synergistic fungicidal compositions PPM1F, PPM1A, PPM1G PTGS2 4302/4885PTGS1 4527/4885CYP1A2 598/4885

“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.