SCHEMBL6701922

SCHEMBL6701922

CN1C(=O)N(Cc2ccc(C(=O)O)cc2)Cc2oc(C#CCc3ccc(F)cc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.36
MMP13 P45452 3/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
HDAC1 Q13547 1/20 0.35
PTGER4 P35408 3/20 0.35
PTGER2 P43116 1/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
TP53 P04637 1/20 0.34
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ENPP2 Q13822 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
SCHEMBL6289326 0.93 MMP13 (0.43) SCDMMP13SLC22A8HDAC1PTGER4
SCHEMBL6696796 0.92 RAB9A (0.38) SCDMMP13HDAC1TP53KDM4E
SCHEMBL6289349 0.91 SCD (0.38) SCDMMP13KDM4ELMNAPOLB
SCHEMBL6699862 0.85 MMP13 (0.36) SCDMMP13SLC22A8HDAC1PTGER4
SCHEMBL6288965 0.80 SCD (0.40) SCDHDAC1TP53KDM4ELMNA
SCHEMBL6703290 0.78 MMP13 (0.43) MMP13SLC22A8HDAC1PTGER4AGTR1
SCHEMBL6920079 0.77 MMP13 (0.38) SCDMMP13SLC22A8PTGER4PTGER2
SCHEMBL6694914 0.73 MMP13 (0.39) SCDMMP13SLC22A8HDAC1PTGER4
SCHEMBL6289360 0.73 MMP13 (0.46) MMP13SLC22A8HDAC1POLB
SCHEMBL6288787 0.72 PTGER4 (0.46) SCDMMP13PTGER4TP53MAPT

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 SCD 2142/4885MMP13 13/4885SLC22A8 2959/4885

“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.