SCHEMBL25087754

SCHEMBL25087754

CC1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
KDM1A O60341 2/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 2/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
CTSK P43235 2/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL31470391 0.87 BTK (0.49) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL30438606 0.87 BTK (0.49) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL29848178 0.87 BTK (0.49) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL5315178 0.87 BTK (0.44) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL6737241 0.86 BTK (0.43) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL20645435 0.86 BTK (0.45) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL19863569 0.86 BTK (0.45) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL5794427 0.83 BTK (0.50) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL18605973 0.81 BTK (0.42) BTKKDM1ANFKB1NFKB2RELA
SCHEMBL22241960 0.81 BTK (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230067476-A1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-03-02 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 (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-20230067476-A1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF XDH, HTR1D, RXFP1 BTK 3639/4885KDM1A 1138/4885NFKB1 723/4885

“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.