SCHEMBL6681696

SCHEMBL6681696

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)CC(C(=O)O)CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TSHR P16473 2/20 0.36
DPP4 P27487 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PREP P48147 3/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35

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
SCHEMBL6679516 0.89 CLPP (0.33) CLPPALDH1A1RAB9AGAAHTT
SCHEMBL6662842 0.85 SMN1; SMN2 (0.45) CLPPALDH1A1RAB9AGAATSHR
SCHEMBL6680997 0.81 S1PR1 (0.38) ALDH1A1KDM4ERAB9AGAAHTT
SCHEMBL6691873 0.80 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9AGAAHTT
SCHEMBL6705127 0.72 PTGS1 (0.38) ALDH1A1KDM4ERAB9AHTTTSHR
SCHEMBL6678882 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ESIGMAR1
SCHEMBL6664692 0.69 GAA (0.30) GAAHTTLMNAPRNP
SCHEMBL6678378 0.69 PKM (0.50) ALDH1A1GAATSHRLMNA
SCHEMBL7058527 0.69 MEN1 (0.31)
SCHEMBL6678209 0.67 ALDH1A1 (0.38) ALDH1A1KDM4EGAATSHRL3MBTL1

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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US disclosed
WO-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 CLPP 4032/4885ALDH1A1 812/4885KDM4E 819/4885

“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.