SCHEMBL23923736

SCHEMBL23923736

Cc1c(Br)ccc2c1CCC(NC(=O)O)C2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
ACHE P22303 8/20 0.45
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
CYP1A2 P05177 1/20 0.37
TBXA2R P21731 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
SCHEMBL23923734 1.00 CA1 (0.45) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL30062558 0.81 CA1 (0.66) CA1CA2ACHE
SCHEMBL30061622 0.81 CA1 (0.66) CA1CA2ACHE
SCHEMBL7450053 0.74 HDAC8 (0.52) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL3217014 0.74 CA1 (0.72) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL7450046 0.74 HDAC8 (0.52) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL1741607 0.74 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL20722746 0.74 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL20722885 0.74 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL17478555 0.73 CA1 (0.41) CA1CA2ACHEMTNR1AMTNR1B

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 CA1 1259/4885CA2 2429/4885ACHE 1811/4885

“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.