SCHEMBL6289330

SCHEMBL6289330

Cn1cc(Cc2ccc(C(=O)O)cc2)c(=O)c2nc(C#CCc3ccccc3)oc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.34
TTR P02766 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KAT8 Q9H7Z6 1/20 0.32
SRD5A2 P31213 2/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
LMNA P02545 1/20 0.32
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6289351 0.88 MMP13 (0.35) MMP13TSHRMEN1KMT2A
SCHEMBL6292710 0.80 MMP13 (0.43) MMP13SLC22A8TSHRHPGDTTR
SCHEMBL6288955 0.80 MMP13 (0.44) MMP13SLC22A8TSHRHPGDTTR
SCHEMBL6289378 0.79 MMP13 (0.38) MMP13SLC22A8TSHRHPGDCYP2C9
SCHEMBL6288949 0.78 PHGDH (0.42) MMP13HDAC6ALDH1A1
SCHEMBL6292111 0.74 MMP13 (0.36) MMP13TSHRMEN1KMT2A
SCHEMBL6289379 0.72 MMP13 (0.44) MMP13SLC22A8TSHRHDAC8HDAC6
SCHEMBL6289352 0.71 PLA2G7 (0.38) PPARGMEN1ALDH1A1KMT2A
SCHEMBL6292131 0.71 MMP13 (0.45) MMP13SLC22A8TSHRHPGDTTR
SCHEMBL6698262 0.69 MMP13 (0.57) MMP13SLC22A8TSHRMEN1KMT2A

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 3 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 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 MMP13 9/4885SLC22A8 2735/4885TSHR 4379/4885

“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.