SCHEMBL22955433

SCHEMBL22955433

CC(C)(C)S(=O)(=O)NCCCCl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GRIA1 P42261 3/20 0.32
PPARA Q07869 2/20 0.30

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
SCHEMBL1051783 0.79 EPHX1 (0.41) EPHX1CA1CA2CA12CA7
SCHEMBL10133161 0.79 CA1 (0.58) EPHX1CA1CA2CA12CA7
SCHEMBL10115090 0.77 EPHX1 (0.64) EPHX1CA1CA2CA12CA7
SCHEMBL13194359 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL15609677 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL1051785 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL9111448 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL13972896 0.76 EPHX1 (0.68) EPHX1CA1CA2CA12CA7
SCHEMBL2111624 0.75
SCHEMBL23862451 0.74 EPHX1 (0.46) EPHX1GRIA1PPARA

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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 EPHX1 444/4885CA1 3709/4885CA2 1001/4885

“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.