SCHEMBL23938403

SCHEMBL23938403

N[C@H]1COc2cc(N3CCS(=O)(=O)CC3)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ABHD6 Q9BV23 1/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KLKB1 P03952 1/20 0.33

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
SCHEMBL21686001 0.80 RORC (0.39)
SCHEMBL20722850 0.80 RORC (0.39)
SCHEMBL20722732 0.79 LGMN (0.34)
SCHEMBL20722680 0.79 PDK2 (0.42)
SCHEMBL21685773 0.79 PDK2 (0.42)
SCHEMBL20722608 0.74 MAPT (0.48) ALDH1A1
SCHEMBL20731008 0.74 MAPT (0.48) ALDH1A1
SCHEMBL30061346 0.74 MAPT (0.48) ALDH1A1
SCHEMBL21704367 0.74 CHRNB2 (0.39)
SCHEMBL23938406 0.74 ESR1 (0.31)

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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 KDM4E 403/4885ABHD6 2461/4885CDK1 480/4885

“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.