Sugi Predict

Sugi Predict / Compounds / SCHEMBL231822

SCHEMBL231822

SCHEMBL231822

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)[C@H]3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CCR1 P32246 1/20 0.37
▸ SPR P35270 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ POLB P06746 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ P4HB P07237 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL122901 1.00 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL29419132 1.00 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL29419093 1.00 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL29419078 1.00 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL169067 1.00 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL775325 0.96 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL3151488 0.94 KMT2A (0.37) GAAMEN1KMT2AKDM4ESPR
SCHEMBL776596 0.93 GAA (0.39) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL4623412 0.93 GAA (0.39) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL774937 0.93 KMT2A (0.39) GAAMEN1KMT2ASPRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 — — CN claimed
CN-108184905-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-12-28 — — CN claimed
CN-107996613-B Compositions comprising biological control agents and pesticides 拜尔农作物科学股份公司 2021-10-22 — — CN claimed
CN-109169661-B Compositions comprising biological control agents and insecticides 拜耳作物科学股份公司 2021-09-21 — — CN claimed
CN-107926985-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-02-02 — — CN claimed
EP-3488700-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2020-12-16 — — EP claimed
EP-2854545-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2020-10-21 — — EP claimed
CN-106962403-B Compositions comprising biological control agents and pesticides 拜耳作物科学股份公司 2020-05-05 — — CN claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 — — EP claimed
EP-2854532-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2019-08-07 — — EP claimed
US-20140038823-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND A FUNGIDICAL COMPOUND BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-06 — — US claimed
US-8632767-B2 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-21 — — US claimed
US-20130317067-A1 PESTICIDAL MIXTURES WITH IMPROVED PROPERTIES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 — — US claimed
EP-2606726-A1 N-Arylamidine-substituted trifluoroethylsulfide derivatives as acaricides and insecticides Bayer CropScience AG (DE) 2013-06-26 — — EP claimed
EP-2494867-A1 Halogen-substituted compounds in combination with fungicides Bayer CropScience AG (DE) 2012-09-05 — — EP claimed
US-20120010073-A1 Anthranilamides in combination with fungicides BAYER CROPSCIENCE AG (DE) 2012-01-12 — — US claimed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 — — US claimed
US-20110064827-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-03-17 — — US claimed
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 — — US claimed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 — — US 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-20110064827-A1 Active compound combinations TST, DPM1, DDT GAA 450/4885MEN1 1599/4885KMT2A 2698/4885
US-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX GAA 90/4885MEN1 1526/4885KMT2A 3240/4885
US-20120010073-A1 Anthranilamides in combination with fungicides AADAC, ANTXR2, CYP51A1 GAA 95/4885MEN1 1806/4885KMT2A 388/4885
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides ATL3, PDIA3, NAT1 GAA 1942/4885MEN1 4000/4885KMT2A 2789/4885
US-20130317067-A1 PESTICIDAL MIXTURES WITH IMPROVED PROPERTIES PTMS, ACHE, DDT GAA 1383/4885MEN1 3942/4885KMT2A 1694/4885
US-20140038823-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND A FUNGIDICAL COMPOUND AADAC, TUBA3C, NAT1 GAA 548/4885MEN1 3136/4885KMT2A 1081/4885
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides CYP4B1, ARSA, C1S GAA 2527/4885MEN1 3204/4885KMT2A 2851/4885

“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.