SCHEMBL23723378

SCHEMBL23723378

O=C(O)NC/C=C(\F)CS(=O)(=O)c1ccc(C(=O)NCc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.54
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA9 Q16790 6/20 0.54
OPRM1 P35372 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
PKM P14618 2/20 0.47
SENP1 Q9P0U3 1/20 0.46
LYPLA2 O95372 1/20 0.46
SETD7 Q8WTS6 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
LY6K Q17RY6 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43

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
SCHEMBL26759230 0.93 CA12 (0.56) CA12CA1CA2CA9OPRM1
SCHEMBL26759241 0.93 CA12 (0.56) CA12CA1CA2CA9OPRM1
Hydrochloric Acid SCHEMBL23723283 0.93 CA12 (0.56) CA12CA1CA2CA9OPRM1
SCHEMBL30633642 0.92 CA12 (0.51) CA12CA1CA2CA9OPRM1
SCHEMBL20896592 0.82 OPRM1 (0.61) CA12CA1CA2CA9OPRM1
SCHEMBL20896874 0.79 OPRM1 (0.61) CA12CA1CA2CA9OPRM1
SCHEMBL18694532 0.78 OPRM1 (0.63) CA12CA1CA2CA9OPRM1
SCHEMBL22473633 0.78 OPRM1 (0.64) CA12CA1CA2CA9OPRM1
SCHEMBL13735950 0.78 OPRM1 (0.66) CA12CA1CA2CA9OPRM1
SCHEMBL20904552 0.77 CA12 (0.61) CA12CA1CA2CA9OPRM1

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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2023-11-02 US disclosed
WO-2021155439-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2021-08-12 WO 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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF MAOB, LOX, LPO CA12 1829/4885CA1 1688/4885CA2 1164/4885

“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.