SCHEMBL646150

SCHEMBL646150

COCCOc1c(S(C)(=O)=O)ccc(C(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SYK P43405 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 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
SCHEMBL3867685 0.90 ALDH1A1 (0.35) MAPTALDH1A1TSHR
SCHEMBL644166 0.88 VCAM1 (0.36) PTGER4MAPTALDH1A1TSHR
SCHEMBL1036538 0.88 ALDH1A1 (0.33) MAPTALDH1A1TSHR
SCHEMBL7976218 0.85 PRKAB2 (0.37) PTGER4MAPTALDH1A1MAPK1PRKAB2
SCHEMBL8465883 0.84 IKBKB (0.39) MAPTALDH1A1TSHR
SCHEMBL29002972 0.83 LMNA (0.33) MAPTALDH1A1MAPK1
SCHEMBL1358599 0.82 TDP1 (0.44) MAPTALDH1A1TSHRMAPK1
SCHEMBL4430478 0.82 BCAT2 (0.42) ALDH1A1SYKTSHRMAPK1
SCHEMBL1358050 0.81 NPSR1 (0.34) MAPTALDH1A1TSHRMAPK1
SCHEMBL24886361 0.78 ALDH1A1 (0.37) PTGER4MAPTALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279738-B Pyrazole carboxylic ester compound and application thereof 沈阳中化农药化工研发有限公司 2023-12-19 CN disclosed
CN-116217487-A Benzoyl pyrazole compound and application thereof 沈阳中化农药化工研发有限公司 2023-06-06 CN disclosed
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
CN-115279738-A Pyrazole carboxylic ester compound and application thereof 沈阳中化农药化工研发有限公司 2022-11-01 CN disclosed
EP-2848612-B1 METHOD FOR PRODUCING A SUBSTITUTED BENZOIC ACID COMPOUND ISHIHARA SANGYO KAISHA (JP) 2017-07-19 EP disclosed
EP-1963274-B1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2015-04-29 EP disclosed
CN-102702045-B Benzoylpyrazole compound and herbicide comprising same ISHIHARA SANGYO KAISHA 2014-05-14 CN disclosed
EP-2276743-B1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2013-11-27 EP disclosed
US-20090286683-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-11-19 US disclosed
CN-101573035-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA (JP) 2009-11-04 CN disclosed
EP-2106697-A1 HERBICIDAL COMPOSITIONS CONTAINING BENZOYLPYRAZOLE COMPOUNDS ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-07 EP disclosed
EP-2103215-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-23 EP disclosed
CN-101541755-A Benzoylpyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA (JP) 2009-09-23 CN disclosed
EP-2084136-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-08-05 EP disclosed
CN-101331119-A Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA (JP) 2008-12-24 CN disclosed
EP-1963274-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-09-03 EP disclosed
WO-2008065907-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-06-05 WO disclosed
WO-2007069771-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-06-21 WO 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 PTGER4 1454/4885MAPT 3169/4885ALDH1A1 222/4885
US-20090286683-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM DDT, ABAT, AADAC PTGER4 4269/4885MAPT 3031/4885ALDH1A1 243/4885

“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.