SCHEMBL917588

SCHEMBL917588

CC(=O)Nc1cc(SC(C)=O)c(C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ESR1 P03372 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL20220054 0.85 CA12 (0.32) HDAC1HDAC6CA1CA2CA9
SCHEMBL917054 0.85 CYP3A4 (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL917173 0.81 ALDH1A1 (0.42) CA1CA2CA9ALDH1A1HPGD
SCHEMBL29130555 0.79 HDAC1 (0.38) HDAC1HDAC6CA1CA2CA9
SCHEMBL5085415 0.79 POLB (0.42) HDAC1HDAC6CA1CA2CA9
SCHEMBL17812300 0.78 HDAC1 (0.38) HDAC1HDAC6CA1CA2CA9
SCHEMBL26981518 0.75 HDAC1 (0.49) HDAC1HDAC6CA1CA2CA9
SCHEMBL713953 0.75 HDAC1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL30946434 0.75 HDAC1 (0.49) HDAC1HDAC6CA1CA2CA9
SCHEMBL31569460 0.73 ALDH1A1 (0.48) HDAC1HDAC6CA1CA2CA9

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 44 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 disclosed
CN-108276358-B N-arylamidine substituted trifluoroethyl sulfide derivatives as acaricides and insecticides 拜尔农作物科学股份公司 2021-11-02 CN disclosed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP disclosed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP disclosed
CN-105722830-B Aryl thioethers derivative and aryl sulfoxid es derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-06-04 CN disclosed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP disclosed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP disclosed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
US-9981940-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
US-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-10-23 US disclosed
WO-2014095979-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 WO disclosed
WO-2014095979-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 WO disclosed
WO-2013092350-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2013-06-27 WO disclosed
WO-2013092350-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2013-06-27 WO disclosed
EP-2606726-A1 N-Arylamidine-substituted trifluoroethylsulfide derivatives as acaricides and insecticides Bayer CropScience AG (DE) 2013-06-26 EP disclosed
EP-2606726-A1 N-Arylamidine-substituted trifluoroethylsulfide derivatives as acaricides and insecticides Bayer CropScience AG (DE) 2013-06-26 EP disclosed
US-7872036-B2 3-triazolylphenyl sulfide derivative and insecticide, miticide and nematicide containing it as an active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-18 US disclosed
US-20090076282-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2009-03-19 US disclosed
EP-1803712-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-04 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-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES AFF4, ARSA, AFF1 HDAC1 1145/4885HDAC6 441/4885CA1 2207/4885
US-20090076282-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT CBR3, CBS, AHCYL1 HDAC1 307/4885HDAC6 123/4885CA1 965/4885

“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.