SCHEMBL4985702

SCHEMBL4985702

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](O)CNC1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
NAAA Q02083 9/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.41
CCR2 P41597 1/20 0.40
ASAH1 Q13510 1/20 0.40

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
SCHEMBL7071416 1.00 GAA (0.52) GAANAAANFKB1NFKB2RELA
SCHEMBL4152753 0.87 GAA (0.54) GAANAAANFKB1NFKB2RELA
SCHEMBL20581801 0.87 GAA (0.54) GAANAAANFKB1NFKB2RELA
SCHEMBL15199916 0.85 GAA (0.60) GAANAAANFKB1NFKB2RELA
SCHEMBL8197462 0.85 GAA (0.60) GAANAAANFKB1NFKB2RELA
SCHEMBL2327582 0.85 GAA (0.60) GAANAAANFKB1NFKB2RELA
SCHEMBL2975714 0.82 GAA (0.57) GAANFKB1NFKB2RELAEPHX2
SCHEMBL318672 0.82 GAA (0.57) GAANFKB1NFKB2RELAEPHX2
SCHEMBL2463048 0.82 GAA (0.57) GAANFKB1NFKB2RELAEPHX2
SCHEMBL320341 0.82 GAA (0.57) GAANFKB1NFKB2RELAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275025-A1 Substituted Lactams and Their Use as Anti-Cancer Agents NOVARTIS AG 2008-11-06 US disclosed
US-7378410-B2 Substituted lactams and their use as anti-cancer agents NOVARTIS AG (CH) 2008-05-27 US disclosed
US-20060281731-A1 Substituted lactams and their use as anti-cancer agents BAIR, KENNETH WALTER 2006-12-14 US disclosed
EP-1651633-A1 SUBSTITUTED LACTAMS AND THEIR USE AS ANTI-CANCER AGENTS Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014574-A1 SUBSTITUTED LACTAMS AND THEIR USE AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-6599898-B2 Selected from the group consisting of breast, lung, non-small cell lung, osteolytic, colon and prostate NOVARTIS AG (CH) 2003-07-29 US disclosed
US-20030055041-A1 Certain substituted caprolactam carbonates and ethers, pharmaceutical compositions containing them and their use in treating tumors KINDER FREDERICK RAY (US) 2003-03-20 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 (3 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-20060281731-A1 Substituted lactams and their use as anti-cancer agents TOP1, TOP2A, TOP2B GAA 1376/4885NAAA 1434/4885NFKB1 651/4885
US-20080275025-A1 Substituted Lactams and Their Use as Anti-Cancer Agents TOP1, TOP2A, MYC GAA 2011/4885NAAA 798/4885NFKB1 677/4885
US-20030055041-A1 Certain substituted caprolactam carbonates and ethers, pharmaceutical compositions containing them and their use in treating tumors VHL, CAPRIN1, CAPN9 GAA 1874/4885NAAA 706/4885NFKB1 2378/4885

“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.