SCHEMBL30668243

SCHEMBL30668243

CC(C)CC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c(Cl)cccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.59
LIN28A Q9H9Z2 2/20 0.54
CTSL P07711 5/20 0.53
CTSB P07858 5/20 0.53
CTSH P09668 3/20 0.49
CTSD P07339 1/20 0.49
KCNH2 Q12809 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX5 P09917 4/20 0.38
PTGES O14684 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DYRK1A Q13627 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
SCHEMBL30668241 1.00 CAPN1 (0.59) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL24186183 1.00 CAPN1 (0.59) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL30668252 0.87 CAPN1 (0.50) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL24186042 0.87 CAPN1 (0.50) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL26727212 0.84 CAPN1 (0.53) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL24186007 0.83 CAPN1 (0.63) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL24186203 0.83 CAPN1 (0.63) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL30668271 0.83 CAPN1 (0.63) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL30668263 0.83 CAPN1 (0.63) CAPN1LIN28ACTSLCTSBCTSH
SCHEMBL24185944 0.83 CAPN1 (0.60) CAPN1LIN28ACTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS DUKE UNIVERSITY (US) 2024-05-09 US disclosed
US-11801242-B2 Compositions and methods for adjuvant cancer therapeutics DUKE UNIVERSITY (US) 2023-10-31 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 (2 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-11801242-B2 Compositions and methods for adjuvant cancer therapeutics TP53, PLK1, NRAS CAPN1 3215/4885LIN28A 699/4885CTSL 1704/4885
US-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS TP53, PLK1, NRAS CAPN1 3215/4885LIN28A 699/4885CTSL 1704/4885

“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.