SCHEMBL6831785

SCHEMBL6831785

O=C(O)c1ccc2c(c1)C(=O)C(Cc1ccc(F)c(Cl)c1)[S+]([O-])N2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 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
SCHEMBL6835278 0.92 KDM5A (0.35) PRKAG1PRKAA2PRKAB1KDM5AKDM5B
SCHEMBL6835570 0.91 GRK6 (0.34) PRKAG1PRKAA2PRKAB1KDM5AKDM5B
SCHEMBL6834783 0.91 TSHR (0.40) KDM4E
SCHEMBL6831723 0.89 ALDH1A1 (0.38) MRGPRX4
SCHEMBL6835347 0.85 RXRA (0.40) KDM5BMRGPRX4
SCHEMBL6834773 0.85 MAPT (0.42)
SCHEMBL6680629 0.82 KMT2A (0.40)
SCHEMBL6835519 0.82 ALDH1A1 (0.44)
SCHEMBL6835367 0.78 EPHX2 (0.44)
SCHEMBL6835485 0.78 PRKAG1 (0.37) KDM4EPRKAG1PRKAA2PRKAB1KDM5A

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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 KDM4E 1665/4885PRKAG1 3975/4885PRKAA2 3662/4885

“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.