SCHEMBL6288792

SCHEMBL6288792

O=C(O)c1ccc(Cc2cnc3sc(C#CCc4ccccc4)nc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
MMP13 P45452 4/20 0.41
SRD5A2 P31213 1/20 0.37
LMNA P02545 3/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
HPGD P15428 3/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL6288773 0.82 S1PR1 (0.44) S1PR1S1PR3MMP13
SCHEMBL6292112 0.79 MMP13 (0.41) MMP13SRD5A2LMNAIP6K1IP6K3
SCHEMBL6289373 0.78 L3MBTL1 (0.55) MMP13CYP2C9CYP2C19CYP2D6
SCHEMBL6288798 0.77 MMP13 (0.41) MMP13SRD5A2LMNAKDM4EIP6K1
SCHEMBL6292130 0.70 HDAC1 (0.51) CYP2C9CYP2C19CYP2D6
SCHEMBL6193680 0.68 MMP13 (0.49) MMP13SRD5A2LMNASLC22A8PLA2G10
SCHEMBL502598 0.67 SRD5A2 (0.71) SRD5A2LMNAPLA2G10PLA2G2ATSHR
SCHEMBL5482345 0.67 SRD5A2 (0.71) SRD5A2LMNAPLA2G10PLA2G2ATSHR
SCHEMBL6289378 0.67 MMP13 (0.38) MMP13SRD5A2LMNAHPGDCYP2C9
SCHEMBL6234905 0.67 MMP13 (0.48) MMP13LMNAKDM4ESMN1; SMN2HPGD

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 2014/4885MMP13 9/4885

“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.