SCHEMBL170093

SCHEMBL170093

CCCCCCCCC=CCCCCCCCCCNCCS(=O)(=O)O.[Na]

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.63
PPARA Q07869 2/20 0.54
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL4419189 1.00 EPHX2 (0.63) EPHX2PPARAFAAHTRPV1
SCHEMBL7219149 1.00 EPHX2 (0.63) EPHX2PPARAFAAHTRPV1
SCHEMBL5044634 0.98 EPHX2 (0.65) EPHX2PPARAFAAHTRPV1
SCHEMBL3091299 0.98 EPHX2 (0.65) EPHX2PPARAFAAHTRPV1
SCHEMBL3956793 0.98 EPHX2 (0.65) EPHX2PPARAFAAHTRPV1
SCHEMBL4597699 0.98 EPHX2 (0.65) EPHX2PPARAFAAHTRPV1
SCHEMBL10775907 0.98 EPHX2 (0.65) EPHX2PPARAFAAHTRPV1
SCHEMBL11327182 0.97 EPHX2 (0.63) EPHX2PPARAFAAHTRPV1
Potassium SCHEMBL4096863 0.97 EPHX2 (0.63) EPHX2PPARAFAAHTRPV1
SCHEMBL9633654 0.94 EPHX2 (0.60) EPHX2PPARAFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5730973-A PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-03-24 US claimed
JP-57137054-A None JP disclosed
US-10806142-B2 2-amino-5-ketoxime-pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US disclosed
WO-2020006869-A1 SUBSTITUTED PYRIMIDINYL FORMYL OXIME DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2020-01-09 WO disclosed
US-10251395-B2 Substituted furano-/thienocycloalkylamino-2-pyrimidine derivatives and use thereof for controlling undesired plant growth BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-09 US disclosed
US-20190082692-A1 2-AMINO-5-KETOXIME-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-21 US disclosed
US-10183914-B2 2-amino-5-keto-pyrimidine derivatives and the use thereof for controlling undesired plant growth BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-22 US disclosed
US-20180213780-A1 SUBSTITUTED FURANO-/THIENOCYCLOALKYLAMINO-2-PYRIMIDINE DERIVATIVES AND USE THEREOF FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-08-02 US disclosed
US-9809542-B2 Spiroheterocyclically substituted tetramic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-11-07 US disclosed
US-20170158644-A1 2-Amino-5-keto-pyrimidine derivatives and the use thereof for controlling undesired plant growth BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US disclosed
US-4055411-A 5-NITRO-PYRIMIDINES CIBA-GEIGY CORPORATION (US) 1977-10-25 US disclosed
US-4025554-A Halogeno-acetanilides as herbicides CIBA-GEIGY CORPORATION (US) 1977-05-24 US disclosed
US-4014677-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-4013452-A Urea derivatives and their use as herbicides HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3960541-A ALIPHATIC EPOXYMONOCARBOXYLIC ACIDS, OR SALTS, ESTERS, OR AMIDES THEREOF CHEMIE LINZ AKTIENGESELLSCHAFT (OE) 1976-06-01 US disclosed
US-3954442-A 4-PHENOXY-PHENOXY-ALKANE-CARBOXYLIC ACIDS AND DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3948914-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1976-04-06 US disclosed
US-3941579-A Regulating the growth of plants and controlling weeds with carbonyl-substituted azabicycloalkanes CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed
US-3937726-A UREA DERIVATIVES AND THEIR USE AS HERBICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-10 US disclosed
US-3937626-A 2,4,5-TRIOXO-IMIDAZOLIDINE-3-CARBOXYLIC ACID AMIDES CIBA-GEIGY CORPORATION (US) 1976-02-10 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 (6 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-10183914-B2 2-amino-5-keto-pyrimidine derivatives and the use thereof for controlling undesired plant growth TYMS, TK1, TKT EPHX2 944/4885PPARA 2567/4885FAAH 2715/4885
US-20180213780-A1 SUBSTITUTED FURANO-/THIENOCYCLOALKYLAMINO-2-PYRIMIDINE DERIVATIVES AND USE THEREOF FOR CONTROLLING UNDESIRED PLANT GROWTH TYMS, PFAS, TYMP EPHX2 619/4885PPARA 1567/4885FAAH 2353/4885
US-10251395-B2 Substituted furano-/thienocycloalkylamino-2-pyrimidine derivatives and use thereof for controlling undesired plant growth TYMS, PFAS, TYMP EPHX2 619/4885PPARA 1567/4885FAAH 2353/4885
US-20170158644-A1 2-Amino-5-keto-pyrimidine derivatives and the use thereof for controlling undesired plant growth TYMS, TK1, TKT EPHX2 944/4885PPARA 2567/4885FAAH 2715/4885
US-20190082692-A1 2-AMINO-5-KETOXIME-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH TKT, TYMS, TK2 EPHX2 1143/4885PPARA 3082/4885FAAH 2924/4885
US-10806142-B2 2-amino-5-ketoxime-pyrimidine derivatives and their use for controlling undesired plant growth TKT, TYMS, TK2 EPHX2 1143/4885PPARA 3082/4885FAAH 2924/4885

“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.