SCHEMBL915895

SCHEMBL915895

Cc1cc(C)c(SCC(F)(F)F)cc1N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AR P10275 1/20 0.31
S100B P04271 1/20 0.31
TERT O14746 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
SCHEMBL717014 0.86
SCHEMBL29396387 0.86
SCHEMBL915889 0.84 GAA (0.35)
SCHEMBL17325395 0.84
SCHEMBL15058725 0.82 L3MBTL1 (0.41) CYP3A4TSHRMAPK1ALDH1A1ALOX15
SCHEMBL15822191 0.81 RAB9A (0.36) ALDH1A1
SCHEMBL20220231 0.79 CYP3A4 (0.38) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL19608975 0.78
SCHEMBL16499983 0.78 ALDH1A1 (0.34) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL11016331 0.76 ALDH1A1 (0.42) CYP3A4TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022084990-A1 METHODS FOR THE PREPARATION OF PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND INTERMEDIATES USED THEREIN ADAMA MAKHTESHIM LTD. (IL) 2022-04-28 WO 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
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
EP-3152216-B1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed
EP-3227274-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2019-07-03 EP disclosed
US-10294243-B2 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-21 US disclosed
US-10131649-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP disclosed
EP-3083570-B1 SIX-MEMBERED C-N-LINKED ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2018-10-24 EP disclosed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP disclosed
WO-2014202505-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-12-24 WO disclosed
EP-2793578-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2014-10-29 EP disclosed
US-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-10-23 US disclosed
US-20140315898-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-10-23 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-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
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 (4 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 CYP3A4 99/4885TSHR 291/4885MAPK1 2548/4885
US-10131649-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 CYP3A4 773/4885TSHR 4369/4885MAPK1 3503/4885
US-20090076282-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT CBR3, CBS, AHCYL1 CYP3A4 149/4885TSHR 1806/4885MAPK1 2221/4885
US-10294243-B2 Bicyclic compounds as pesticides DDT, BCHE, CYCS CYP3A4 364/4885TSHR 3385/4885MAPK1 4172/4885

“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.