SCHEMBL22694131

SCHEMBL22694131

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA6 P23280 2/20 0.40
▸ CA5A P35218 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DHFR P00374 1/20 0.36

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
SCHEMBL19629901 0.89 CA1 (0.40) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL18456642 0.83 CA2 (0.42) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL19558972 0.83 CA12 (0.37) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL24311588 0.80 CA1 (0.39) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL20122105 0.75 CA1 (0.47) ALDH1A1MAPTCA12CA1CA2
SCHEMBL19157908 0.73 KDM4E (0.36) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL21504945 0.72 CA2 (0.42) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL21893369 0.72 RXFP1 (0.41) ALDH1A1MAPTCA12CA1CA2
SCHEMBL24677753 0.70 LMNA (0.47) ALDH1A1MAPTCA12CA1CA2
SCHEMBL18386943 0.70 CA2 (0.46) ALDH1A1MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369630-A1 HERBICIDALLY ACTIVE 3-PHENYL-5-TRIFLUOROMETHYLISOXAZOLINE-5-CARBOXAMIDES OF CYCLOPENTYLCARBOXYLIC ACIDS AND ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2020-11-26 — — 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 (1 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-20200369630-A1 HERBICIDALLY ACTIVE 3-PHENYL-5-TRIFLUOROMETHYLISOXAZOLINE-5-CARBOXAMIDES OF CYCLOPENTYLCARBOXYLIC ACIDS AND ESTERS AADAC, DDT, PRDX5 ALDH1A1 216/4885MAPT 4258/4885MEN1 4825/4885

“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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