SCHEMBL2748080

SCHEMBL2748080

Cn1cc(NC(=O)OC(C)(C)C)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
PSMB8 P28062 1/20 0.48
CYP17A1 P05093 3/20 0.44
PRKDC P78527 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NAMPT P43490 1/20 0.42
DRD2 P14416 1/20 0.42
BRD4 O60885 1/20 0.42
MAPK14 Q16539 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
LIPE Q05469 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL13055402 0.79 CYP17A1 (0.59) CA12CA1CA9PSMB8CYP17A1
SCHEMBL4891266 0.79 CA12 (0.43) CA12CA1CA9PSMB8CYP17A1
SCHEMBL26105408 0.79 ALDH1A1 (0.50) CA12CA1CA9PSMB8CYP17A1
SCHEMBL18033361 0.78 CD274 (0.44) CA12CA1CA9PSMB8CYP17A1
SCHEMBL26105485 0.77 CA12 (0.43) CA12CA1CA9PSMB8CYP17A1
SCHEMBL26107352 0.77 ALDH1A1 (0.48) CA12CA1CA9PSMB8CYP17A1
SCHEMBL16158621 0.77 CA12 (0.47) CA12CA1CA9PSMB8CYP17A1
SCHEMBL15461393 0.76 SMN1; SMN2 (0.50) CA12CA1CA9BRD4KDM4E
SCHEMBL4039702 0.76 BRD4 (0.47) BRD4KDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL12687980 0.76 CA12 (0.46) CA12CA1CA9PSMB8CYP17A1

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-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 CN 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET CA12 1168/4885CA1 2581/4885CA9 1046/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET CA12 1168/4885CA1 2581/4885CA9 1046/4885

“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.