SCHEMBL22844063

SCHEMBL22844063

C=C/C=C\C(=C/C=C)S(=O)(=O)NC(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.37
▸ CA1 P00915 3/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ESRRG P62508 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PARP10 Q53GL7 2/20 0.32
▸ PARP4 Q9UKK3 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ PARP14 Q460N5 1/20 0.32
▸ PARP16 Q8N5Y8 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL20760154 0.89 CA2 (0.35) CA2CA1CA9CA12CA14
SCHEMBL22519836 0.89 EPHX2 (0.37) CA2CA1CA9CA12CA14
SCHEMBL23797104 0.84 SMN1; SMN2 (0.43) CA2CA1CA9CA12CA14
SCHEMBL21585329 0.77 CA2 (0.37) CA2CA1CA9CA12CA14
SCHEMBL24311856 0.73 SMN1; SMN2 (0.44) CA2CA1KDM4EKMT2AALDH1A1
SCHEMBL21504945 0.73 CA2 (0.42) CA2CA1CA9CA12CA14
SCHEMBL21504863 0.72 SMN1; SMN2 (0.46) CA2CA1KDM4EKMT2AALDH1A1
SCHEMBL25808865 0.72 — —
SCHEMBL21338941 0.72 — —
SCHEMBL20623069 0.70 KEAP1 (0.39) CA2CA1CA9CA12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220386606-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 — — US disclosed
US-20210137117-A1 HERBICIDAL MIXTURES FMC CORPORATION 2021-05-13 — — US disclosed
US-20200404914-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AG (DE) 2020-12-31 — — 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 (3 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-20220386606-A1 SPECIFICALLY SUBSTITUTED 3-PHENYL-5-SPIROCYCLOPENTYL-3-PYRROLIN-2-ONES AND THEIR USE AS HERBICIDES DDT, HPD, AGPS CA2 526/4885CA1 2761/4885CA9 1388/4885
US-20210137117-A1 HERBICIDAL MIXTURES DDT, MTX2, ATL3 CA2 75/4885CA1 773/4885CA9 546/4885
US-20200404914-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 CA2 226/4885CA1 442/4885CA9 753/4885

“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.

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