SCHEMBL6289356

SCHEMBL6289356

Cn1cc(Cc2ccccc2)c(=O)c2sc(C(=O)O)nc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
PLA2G7 Q13093 1/20 0.36
PTPN1 P18031 3/20 0.36
DHFR P00374 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
RNASEH1 O60930 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
BRD4 O60885 3/20 0.33
PTPN11 Q06124 1/20 0.33
PTGER1 P34995 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
SCHEMBL11494803 0.66 PDE3B (0.43) DHFRBRD4
SCHEMBL29209424 0.64 TSHR (0.74) TSHRHIF1ALMNARXFP1BRD4
SCHEMBL28005248 0.62 HDAC1 (0.42) RNASEH1
SCHEMBL4738300 0.62 PTGER1 (0.58) TSHRHIF1ALMNARXFP1BRD4
SCHEMBL11545651 0.61 PDE3B (0.52) LMNARXFP1BRD4
SCHEMBL23233750 0.61 BRD4 (0.50) PLA2G7L3MBTL1BRD4
SCHEMBL27664851 0.61 ALDH1A1 (0.48) LMNAGAA
SCHEMBL913166 0.60 SLC22A12 (0.49) TSHR
SCHEMBL19224495 0.59 LMNA (0.56) TSHRL3MBTL1LMNAGAACYP2C9
SCHEMBL19207619 0.59 TSHR (0.56) TSHRL3MBTL1LMNARXFP1CYP2C9

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-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US claimed
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

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 TSHR 4379/4885HIF1A 473/4885PLA2G7 189/4885

“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.