SCHEMBL6696562

SCHEMBL6696562

CN1C(=O)N(Cc2ccc(F)c(F)c2)Cc2nc(C(=O)NCc3ccccc3)oc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
S1PR3 Q99500 12/20 0.41
SCD O00767 3/20 0.41
CACNA1G O43497 3/20 0.40
CACNA1H O95180 3/20 0.40
CACNA1I Q9P0X4 3/20 0.40
CLPP Q16740 1/20 0.39

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
SCHEMBL6696978 0.86 PTGER4 (0.46) PTGER4SCD
SCHEMBL6704025 0.81 SCD (0.44) PTGER4S1PR3SCDCACNA1GCACNA1H
SCHEMBL6700327 0.81 CLPP (0.43) PTGER4S1PR3SCDCACNA1GCACNA1H
SCHEMBL6699931 0.78 CLPP (0.38) CLPP
SCHEMBL6701897 0.76 SCD (0.52) PTGER4SCD
SCHEMBL6705194 0.75 SMN1; SMN2 (0.47) PTGER4S1PR3SCD
SCHEMBL6696733 0.74 MMP13 (0.49) PTGER4
SCHEMBL6697984 0.74 ALDH1A1 (0.36) CACNA1GCACNA1HCACNA1I
SCHEMBL6292798 0.74 PTGER4 (0.40) PTGER4S1PR3CACNA1GCACNA1HCACNA1I
Picolamine SCHEMBL6818745 0.73 S1PR3 (0.40) S1PR3SCDCLPP

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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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 PTGER4 1609/4885S1PR3 1772/4885SCD 2142/4885

“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.