SCHEMBL6699862

SCHEMBL6699862

CN1C(=O)N(Cc2ccc(C(=O)O)cc2)Cc2nc(C#CCc3ccc(F)cc3)oc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
PTGER4 P35408 3/20 0.35
PTGER2 P43116 1/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
SCD O00767 2/20 0.35
TP53 P04637 1/20 0.34
HDAC1 Q13547 1/20 0.33
ALOX5 P09917 1/20 0.33
HTT P42858 1/20 0.33
ENPP2 Q13822 1/20 0.33
KDM4E B2RXH2 1/20 0.32
APEX1 P27695 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
KDM4A O75164 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
SCHEMBL6703290 0.93 MMP13 (0.43) MMP13SLC22A8PTGER4AGTR1AGTR2
SCHEMBL6920079 0.91 MMP13 (0.38) MMP13SLC22A8PTGER4PTGER2AGTR1
SCHEMBL6701922 0.85 SCD (0.36) MMP13SLC22A8PTGER4PTGER2AGTR1
SCHEMBL6289326 0.78 MMP13 (0.43) MMP13SLC22A8PTGER4AGTR1AGTR2
SCHEMBL6696796 0.77 RAB9A (0.38) MMP13SCDTP53HDAC1KDM4E
SCHEMBL6289349 0.76 SCD (0.38) MMP13SCDHTTKDM4ETDP1
SCHEMBL6694967 0.74 MMP13 (0.46) MMP13SLC22A8
SCHEMBL6694914 0.73 MMP13 (0.39) MMP13SLC22A8PTGER4PTGER2AGTR1
SCHEMBL6696978 0.72 PTGER4 (0.46) MMP13PTGER4SCDTP53
SCHEMBL6813762 0.71 MMP13 (0.41) MMP13SLC22A8SCDKDM4E

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885SLC22A8 2959/4885PTGER4 1609/4885

“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.