SCHEMBL6835485

SCHEMBL6835485

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
PTGER4 P35408 1/20 0.34
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.34
RORC P51449 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PARK7 Q99497 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL6835226 0.92 KDM5A (0.36) KDM5AKDM5BPTGER4RORCCYP3A4
SCHEMBL6831808 0.91 HTR7 (0.36) KDM5AKDM5BKDM4EPARK7PTGER1
SCHEMBL6831758 0.91 TSHR (0.39) KDM4EPARK7
SCHEMBL6835396 0.89 MRGPRX4 (0.37) PRKAG1PRKAA2PRKAB1KDM4EPARK7
SCHEMBL6835323 0.86 RXRA (0.39) PRKAG1PRKAA2PRKAB1KDM5BPARK7
SCHEMBL6831716 0.86 MAPT (0.42) RORC
SCHEMBL6831719 0.84 NR4A2 (0.39) KDM5AKDM5BPTGER4CYP2C9KDM4E
SCHEMBL6835320 0.83 PARK7 (0.46) KDM4EPARK7
SCHEMBL6837172 0.83 ALDH1A1 (0.45)
SCHEMBL6834726 0.79 EPHX2 (0.43) RORC

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 PRKAG1 3975/4885PRKAA2 3662/4885PRKAB1 3422/4885

“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.