SCHEMBL5700314

SCHEMBL5700314

CS(=O)(=O)c1cnccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.43
CA12 O43570 7/20 0.40
CA2 P00918 7/20 0.40
CA9 Q16790 7/20 0.40
CA1 P00915 6/20 0.40
CA14 Q9ULX7 5/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL5700440 0.87 SLC22A12 (0.43) SLC22A12CA12CA2CA9CA1
SCHEMBL5700433 0.81 CA12 (0.40) CA12CA2CA9CA1CA14
SCHEMBL5700164 0.76 CA12 (0.37) SLC22A12CA12CA2CA9CA1
SCHEMBL14494474 0.74 SLC22A12 (0.40) SLC22A12HTTKMT2AALDH1A1MEN1
SCHEMBL8148133 0.72 CA12 (0.43) CA12CA2CA9CA1CA14
SCHEMBL19144940 0.72 L3MBTL1 (0.44) CA12CA2CA9CA1CA14
SCHEMBL514821 0.72 ALDH1A1 (0.63) SLC22A12HTTALDH1A1
SCHEMBL2646684 0.72 CA12 (0.39) SLC22A12CA12CA2CA9CA1
SCHEMBL5700467 0.72 CA12 (0.39) CA12CA2CA9CA1CA14
SCHEMBL15823128 0.72 RARB (0.42) CA12CA2CA9HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220104493-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3920701-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-15 EP disclosed
CN-113412055-A Herbicidal compounds 先正达农作物保护股份公司 2021-09-17 CN disclosed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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-20220104493-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 SLC22A12 1814/4885CA12 2083/4885CA2 257/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 SLC22A12 4178/4885CA12 1841/4885CA2 2561/4885

“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.