SCHEMBL4556862

SCHEMBL4556862

CC(C)(C)OC(=O)NC1CC1C=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
KDM1A O60341 2/20 0.43
NFKB1 P19838 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
GAA P10253 2/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3377655 0.90 KDM1A (0.40) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL3384745 0.89 KDM1A (0.39) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL14837522 0.88 BTK (0.51) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL19931998 0.87 KDM1A (0.40) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL16510329 0.86 BTK (0.40) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL5722405 0.86 BTK (0.40) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL8067532 0.84 BTK (0.43) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL8067531 0.84 BTK (0.43) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL3375340 0.84 BTK (0.43) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL13564070 0.84 BTK (0.43) BTKKDM1ANFKB1NFKB2RELA

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
CN-119219608-A Polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-31 CN disclosed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US disclosed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 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 (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-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB BTK 3351/4885KDM1A 865/4885NFKB1 1651/4885

“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.