SCHEMBL2014859

SCHEMBL2014859

CCn1nccc1OC(=O)c1ccc(S(C)(=O)=O)c(OCCOC)c1C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 3/20 0.32

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
SCHEMBL643926 0.88 SSTR4 (0.31)
SCHEMBL12636788 0.84 L3MBTL1 (0.33) GCKL3MBTL1
SCHEMBL24886365 0.83 MAPT (0.36) GCKL3MBTL1
SCHEMBL644166 0.78 VCAM1 (0.36) PTGER4
SCHEMBL1032996 0.77 SMN1; SMN2 (0.34)
SCHEMBL30042076 0.77 SMN1; SMN2 (0.34)
SCHEMBL3867685 0.76 ALDH1A1 (0.35)
SCHEMBL6490789 0.75
SCHEMBL6493530 0.75 TP53 (0.31)
SCHEMBL646150 0.75 PTGER4 (0.35) PTGER4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138225-A1 PYRAZOLE CARBOXYLATE ESTER COMPOUND AND USE THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230138225-A1 PYRAZOLE CARBOXYLATE ESTER COMPOUND AND USE THEREOF JIANGSU YANGNONG CHEMICAL CO., LTD. (CN) 2023-05-04 US disclosed
EP-4119545-A1 PYRAZOLE CARBOXYLATE COMPOUND AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2023-01-18 EP disclosed
EP-2276743-B1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2013-11-27 EP disclosed
US-8466089-B2 Pyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-06-18 US disclosed
US-20110160062-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-30 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 (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-20230138225-A1 PYRAZOLE CARBOXYLATE ESTER COMPOUND AND USE THEREOF NOTUM, CYP3A5, CYP2E1 GCK 558/4885L3MBTL1 1517/4885PTGER4 1454/4885
US-20110160062-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ARSA, AADAC, PDXK GCK 83/4885L3MBTL1 2260/4885PTGER4 3811/4885

“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.