Sugi Predict

Sugi Predict / Compounds / SCHEMBL167966

SCHEMBL167966

SCHEMBL167966

Cc1ncc(C(=O)O)n1C1c2ccccc2CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 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
SCHEMBL2177433 0.77 ALDH1A1 (0.42) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL9492507 0.74 GCK (0.34) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL9804895 0.69 CYP11B2 (0.42) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL6525524 0.69 CYP3A4 (0.33) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL10644394 0.68 CYP11B2 (0.41) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL68341 0.67 CYP11B2 (0.47) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL9493756 0.67 CYP11B2 (0.47) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL10699956 0.67 CYP11B2 (0.36) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL9496956 0.67 CYP11B2 (0.47) GCKALDH1A1MAPTKDM4EHPGD
SCHEMBL10644026 0.67 CYP11B2 (0.40) GCKALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 — — EP claimed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 — — EP claimed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 — — EP claimed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 — — EP claimed
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 — — EP claimed
EP-3010893-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-04-27 — — EP claimed
EP-2935267-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2015-10-28 — — EP claimed
EP-2467021-B1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULPHIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER IP GMBH (DE) 2015-10-28 — — EP claimed
EP-2477497-B1 Synergistic fungicidal combinations containing a dithiino-tetracarboxamide fungicide BAYER IP GMBH (DE) 2015-10-21 — — EP claimed
WO-2014202510-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-12-24 — — WO claimed
WO-2014095979-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 — — WO claimed
EP-2451277-B1 PROCESS FOR IMPROVING SEEDLING GROWTH AND/OR EARLY EMERGENCE OF CROPS BAYER CROPSCIENCE AG (DE) 2013-12-18 — — EP claimed
EP-2606726-A1 N-Arylamidine-substituted trifluoroethylsulfide derivatives as acaricides and insecticides Bayer CropScience AG (DE) 2013-06-26 — — EP claimed
EP-2590511-A2 ANTHRANILAMIDES IN COMBINATION WITH FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-05-15 — — EP claimed
WO-2013050324-A1 COMBINATION, CONTAINING 4-PHENYLBUTYRIC ACID (4-PBA) OR A SALT THEREOF (COMPONENT (A)) AND ONE OR MORE SELECTED ADDITIONAL AGRONOMICALLY ACTIVE COMPOUNDS (COMPONENT(S) (B)), THAT REDUCES ABIOTIC PLANT STRESS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 — — WO claimed
EP-2494867-A1 Halogen-substituted compounds in combination with fungicides Bayer CropScience AG (DE) 2012-09-05 — — EP claimed
EP-2467367-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2012-06-27 — — EP claimed
US-20120083463-A1 Insecticidal and Fungicidal Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2012-04-05 — — US claimed
WO-2012004221-A2 ANTHRANILAMIDES IN COMBINATION WITH FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-01-12 — — WO claimed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 — — WO 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 (1 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-20120083463-A1 Insecticidal and Fungicidal Active Compound Combinations DDT, ACHE, CYP4B1 GCK 1490/4885ALDH1A1 1906/4885MAPT 4425/4885

“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.