SCHEMBL2903436

SCHEMBL2903436

[CH](C1CCCS1)C1CCCS1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.35

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
SCHEMBL851699 0.90
SCHEMBL1828963 0.79
SCHEMBL953315 0.79
SCHEMBL16622933 0.79
SCHEMBL12225903 0.75
SCHEMBL12343011 0.75
SCHEMBL1435622 0.73
SCHEMBL9670609 0.71
SCHEMBL1829562 0.71
SCHEMBL16612106 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP claimed
US-7670991-B2 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER CROPSCIENCE AG (DE) 2010-03-02 US claimed
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 US claimed
US-20040110640-A1 Herbicidal substituted benzoylpyrazoles BAYER CROPSCIENCE AG (DE) 2004-06-10 US claimed
EP-1395565-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES Bayer CropScience AG (DE) 2004-03-10 EP claimed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 EP claimed
WO-2002096884-A2 SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT BAYER CROPSCIENCE AG (DE) 2002-12-05 WO claimed
WO-2002094792-A1 HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2002-11-28 WO claimed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 WO claimed
EP-0410278-B1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AG (DE) 1994-01-19 EP claimed
EP-0410278-A1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-30 EP claimed
EP-0371467-A2 Beta-amino boron acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-06 EP claimed
EP-0354522-A1 Use of alpha-aminoboronic acid derivatives in prevention and treatement of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-14 EP claimed
EP-0315574-A2 Renin inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 EP claimed
EP-0185731-A4 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1988-11-02 EP claimed
EP-0185731-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1986-07-02 EP claimed
WO-1986000072-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1986-01-03 WO claimed
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP disclosed
EP-0354522-A1 Use of alpha-aminoboronic acid derivatives in prevention and treatement of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-14 EP disclosed
EP-0315574-A2 Renin inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 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-20040110640-A1 Herbicidal substituted benzoylpyrazoles DDT, GLRX3, CBR3 NOS2 4197/4885
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents DDT, CYP1B1, CYP1A1 NOS2 4671/4885

“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.