SCHEMBL22580331

SCHEMBL22580331

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ TGM2 P21980 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ DHFR P00374 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 2/20 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
SCHEMBL23135865 0.88 LMNA (0.43) LMNANPSR1POLBCA1CA2
SCHEMBL23913202 0.86 CA2 (0.39) LMNATGM2NPSR1POLBCA1
SCHEMBL24311588 0.85 CA1 (0.39) LMNATGM2NPSR1POLBCA1
SCHEMBL20381796 0.82 LMNA (0.42) LMNATGM2NPSR1POLBCA1
SCHEMBL21078459 0.80 CA2 (0.41) LMNANPSR1POLBCA1CA2
SCHEMBL24677753 0.79 LMNA (0.47) LMNANPSR1POLBCA1CA2
SCHEMBL19308088 0.73 FBP1 (0.33) LMNASMN1; SMN2RAB9A
SCHEMBL15172248 0.72 LIMK1 (0.46) LMNANPSR1CA1CA2CA12
SCHEMBL29191945 0.68 LMNA (0.59) LMNACA1CA2CA12CA4
SCHEMBL14368127 0.68 CA1 (0.55) LMNACA1CA2ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10842152-B2 Isothiazolo-based bicycles, processes for their preparation and their use as herbicides and/or plant growth regulators BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-11-24 — — US disclosed
US-20200331904-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-22 — — 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-10842152-B2 Isothiazolo-based bicycles, processes for their preparation and their use as herbicides and/or plant growth regulators ING2, DDT, CBR3 LMNA 4853/4885TGM2 2109/4885NPSR1 3128/4885
US-20200331904-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH NAT1, AGXT, CYP4Z1 LMNA 4825/4885TGM2 339/4885NPSR1 2619/4885

“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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