SCHEMBL6835226

SCHEMBL6835226

CN1c2ccc(C(=O)O)cc2C(=O)C(Cc2ccc(Cl)c(F)c2)[S+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.34
RORC P51449 5/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
PARK7 Q99497 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
PPARG P37231 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL6835485 0.92 PRKAG1 (0.37) KDM5AKDM5BPTGER1PTGER4RORC
SCHEMBL6831808 0.91 HTR7 (0.36) KDM5AKDM5BPTGER1PARK7KDM4C
SCHEMBL6831758 0.91 TSHR (0.39) PARK7KDM4CCA1CA2CA4
SCHEMBL6835396 0.87 MRGPRX4 (0.37) PARK7CA1CA2CA4CA9
SCHEMBL6831784 0.86 PPARG (0.42) RORCPPARG
SCHEMBL6835323 0.84 RXRA (0.39) KDM5BPARK7KDM4C
SCHEMBL6831719 0.84 NR4A2 (0.39) KDM5AKDM5BPTGER4CYP2C9PARK7
SCHEMBL6835320 0.83 PARK7 (0.46) PARK7
SCHEMBL6831809 0.83 ALDH1A1 (0.45)
SCHEMBL6834726 0.79 EPHX2 (0.43) RORCPPARG

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 KDM5A 751/4885KDM5B 556/4885PTGER1 198/4885

“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.