SCHEMBL22203322

SCHEMBL22203322

C=C/C=C(\C=C/C)NS(=O)(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ CA1 P00915 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ DHFR P00374 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ FLT1 P17948 2/20 0.36
▸ FLT4 P35916 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL21504945 0.89 CA2 (0.42) CA2POLBCA1CA9CA12
SCHEMBL18386943 0.88 CA2 (0.46) CA2POLBCA1CA9CA12
SCHEMBL20760068 0.85 CA2 (0.39) CA2POLBCA1CA9CA12
SCHEMBL18456642 0.84 CA2 (0.42) CA2POLBCA1CA9CA12
SCHEMBL21078459 0.83 CA2 (0.41) CA2POLBCA1CA9CA12
SCHEMBL20381796 0.79 LMNA (0.42) CA2POLBCA1CA9CA12
SCHEMBL19629980 0.76 CA2 (0.41) CA2POLBCA1CA9CA12
SCHEMBL20634752 0.76 CA2 (0.41) CA2POLBCA1CA9CA12
SCHEMBL20122105 0.75 CA1 (0.47) CA2POLBCA1CA9CA12
SCHEMBL20760154 0.75 CA2 (0.35) CA2POLBCA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834434-B2 Substituted 2-heteroaryloxypyridines and salts thereof and their use as herbicidal agents BAYER AKTIENGESELLSCHAFT (DE) 2023-12-05 — — US disclosed
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-20220151230-A1 SPECIFICALLY SUBSTITUTED 3-(2-HALOGEN-6-ALKYL-4-PROPINYLPHENYL)-3-PYRROLIN-2-ONES AND TO THE USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-05-19 — — US disclosed
US-20220119358-A1 HERBICIDAL SUBSTITUTED N-TETRAZOLYL ARYL CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-04-21 — — US disclosed
US-20200216403-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF TETRAHYDRO- AND DIHYDROFURANCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-07-09 — — 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 (5 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 526/4885POLB 3375/4885CA1 2761/4885
US-20200216403-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF TETRAHYDRO- AND DIHYDROFURANCARBOXAMIDES AADAC, DDT, CBR3 CA2 224/4885POLB 3475/4885CA1 511/4885
US-20220151230-A1 SPECIFICALLY SUBSTITUTED 3-(2-HALOGEN-6-ALKYL-4-PROPINYLPHENYL)-3-PYRROLIN-2-ONES AND TO THE USE THEREOF AS HERBICIDES DDT, HPD, PFAS CA2 924/4885POLB 2839/4885CA1 3126/4885
US-11834434-B2 Substituted 2-heteroaryloxypyridines and salts thereof and their use as herbicidal agents DDT, AGPS, GMDS CA2 344/4885POLB 3758/4885CA1 3553/4885
US-20220119358-A1 HERBICIDAL SUBSTITUTED N-TETRAZOLYL ARYL CARBOXAMIDES DDT, CYP4X1, AADAC CA2 428/4885POLB 3058/4885CA1 1028/4885

“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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