Sugi Predict

Sugi Predict / Compounds / SCHEMBL811879

SCHEMBL811879

SCHEMBL811879

COC(=S)Oc1c(C)c(-c2cccnc2)oc(=O)c1-c1ccc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ ROS1 P08922 2/20 0.35
▸ SQOR Q9Y6N5 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ RRM1 P23921 1/20 0.33
▸ RRM2B Q7LG56 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33

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
SCHEMBL810958 0.83 CYP17A1 (0.41) CYP17A1ROS1KDM4ECYP19A1MAOA
SCHEMBL12269931 0.79 LMNA (0.36) CYP17A1KDM4ECYP19A1MAOAMAOB
SCHEMBL14609696 0.78 MAOA (0.41) SLC2A1KDM4EMAOAMAOB
SCHEMBL13527232 0.77 KCNA3 (0.36) SLC2A1KDM4ECYP19A1MAOAMAOB
SCHEMBL6208131 0.76 CYP17A1 (0.39) CYP17A1ROS1SQORKDM4EMAOA
SCHEMBL12702906 0.76 CHRM2 (0.34) CYP17A1KDM4ECYP19A1CHRM2CHRM1
SCHEMBL9883903 0.74 TSHR (0.38) SLC2A1MAOAMAOB
SCHEMBL10309281 0.74 MAOA (0.36) SLC2A1KDM4EMAOAMAOB
SCHEMBL13097104 0.74 ABL1 (0.35) MAOAMAOB
SCHEMBL7098191 0.73 MAOA (0.41) CYP17A1SLC2A1ROS1SQORKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 — — US disclosed
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 — — US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 — — US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 — — US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 — — US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 — — US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 — — US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 — — 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 (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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 CYP17A1 86/4885SLC2A1 2684/4885ROS1 1634/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 CYP17A1 86/4885SLC2A1 2684/4885ROS1 1634/4885

“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.