SCHEMBL3036607

SCHEMBL3036607

CCOC(=O)c1cc2cc(NC(C)=O)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 3/20 0.43
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
CTRB1 P17538 1/20 0.41
CYP2C19 P33261 1/20 0.39
BRD4 O60885 2/20 0.39
ATM Q13315 1/20 0.38
PRKCZ Q05513 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL3639291 0.85 MMP13 (0.52) MMP13ADORA3MAPTNOD2NOD1
SCHEMBL12042732 0.84 NOD2 (0.52) ADORA3MAPTNOD2NOD1KMT2A
SCHEMBL3030334 0.83 NOD2 (0.46) MAPTNOD2NOD1KMT2AMEN1
SCHEMBL21685569 0.82 NOD2 (0.45) MAPTNOD2NOD1KMT2AMEN1
SCHEMBL1313682 0.82 NOD2 (0.45) MAPTNOD2NOD1ELANEATM
SCHEMBL3023843 0.82 NOD2 (0.45) ADORA3MAPTNOD2NOD1KMT2A
SCHEMBL3639293 0.82 MMP13 (0.47) MMP13ADORA3MAPTKMT2AMEN1
SCHEMBL6512126 0.81 NOD2 (0.44) MAPTNOD2NOD1KMT2AMEN1
SCHEMBL13560519 0.80 TSPO (0.38) MMP13MAPTKMT2AMEN1NPSR1
SCHEMBL24894603 0.80 NOD2 (0.62) NOD2NOD1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK MMP13 1315/4885ADORA3 519/4885MAPT 3803/4885
US-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 MMP13 3286/4885ADORA3 1357/4885MAPT 791/4885

“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.