SCHEMBL6730251

SCHEMBL6730251

CSc1cccc(CC#Cc2cc3c(=O)n(C(C)c4ccc(C(=O)O)cc4)c(=O)[nH]c3s2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 1/20 0.32
LIPG Q9Y5X9 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
SCHEMBL6735961 0.91 MMP13 (0.36) MMP13SLC22A8MAPK1
SCHEMBL6471042 0.89 MMP13 (0.36) MMP13SLC22A8MAPK1
SCHEMBL6913360 0.89 PTGER4 (0.41) MMP13SLC22A8
SCHEMBL6471978 0.89 MMP13 (0.36) MMP13SLC22A8MAPTMAPK1
SCHEMBL6461412 0.89 MMP13 (0.36) MMP13SLC22A8MAPK1
SCHEMBL6730190 0.87 MMP13 (0.40) MMP13SLC22A8
SCHEMBL6912473 0.85 MMP13 (0.38) MMP13SLC22A8MAPK1
SCHEMBL6916599 0.85 MMP13 (0.38) MMP13SLC22A8MAPTRXFP1MAPK1
SCHEMBL7035441 0.85 MMP13 (0.35) MMP13SLC22A8MAPK1
SCHEMBL6733045 0.84 MMP13 (0.37) MMP13SLC22A8MAPK1

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-6596798-B1 method for forming a functionalized polymer comprising the steps of providing a living lithium polymer; and terminating the living lithium polymer with an oxazoline compound according to the following formula (I): BRIDGESTONE CORPORATION (JP) 2003-07-22 US disclosed
US-20030125477-A1 Preparation of low hysteresis rubber by reacting a lithium polymer with oxazoline compounds BRIDGESTONE CORPORATION (JP) 2003-07-03 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (2 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885SLC22A8 605/4885TP53 4652/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885TP53 1698/4885

“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.