SCHEMBL6288962

SCHEMBL6288962

Fc1ccc(Cc2cnc3sc(C#CCc4ccccc4)cc3c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 4/20 0.36
NR1D1 P20393 1/20 0.32
NR1H3 Q13133 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
JAK2 O60674 1/20 0.32
ZAP70 P43403 1/20 0.32
SYK P43405 1/20 0.32
HTT P42858 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAPK14 Q16539 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6288773 0.81 S1PR1 (0.44) S1PR1S1PR3CYP11B1CYP11B2JAK2
SCHEMBL6288782 0.81 MMP13 (0.40) S1PR1S1PR3MMP13
SCHEMBL6289372 0.76 SNCA (0.35) CYP11B1CYP11B2JAK2ZAP70SYK
SCHEMBL6292723 0.76 CYP11B1 (0.32) S1PR1S1PR3CYP11B1CYP11B2JAK2
SCHEMBL6288797 0.73 MEN1 (0.46) S1PR1S1PR3JAK2ZAP70SYK
SCHEMBL6292132 0.70 LTA4H (0.31) CYP11B1CYP11B2HTT
SCHEMBL6289365 0.70 ADRA1A (0.34) MAPK14MMP13
SCHEMBL6703449 0.70 MMP13 (0.52) ROCK1MMP13
SCHEMBL6292736 0.67 PLA2G7 (0.33)
SCHEMBL3362040 0.67 CALM1 (0.55) CYP11B1CYP11B2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US claimed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 S1PR1 1241/4885S1PR3 2014/4885NR1D1 994/4885

“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.