SCHEMBL24296293

SCHEMBL24296293

CC(C)CCCCNC(=S)SCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL27877359 0.84 KEAP1 (0.46) KEAP1NFE2L2LMNAALDH1A1MEN1
SCHEMBL21051000 0.84 KEAP1 (0.46) KEAP1NFE2L2LMNAALDH1A1MEN1
SCHEMBL27710862 0.82 KEAP1 (0.45) KEAP1NFE2L2LMNAALDH1A1MEN1
SCHEMBL28570325 0.79 KEAP1 (0.45) KEAP1NFE2L2ALDH1A1CYP1A2CYP3A4
SCHEMBL7590641 0.76 KEAP1 (0.40) KEAP1NFE2L2LMNAMEN1MAPT
SCHEMBL27692266 0.75 KEAP1 (0.39) KEAP1NFE2L2LMNAMEN1MAPT
SCHEMBL14996216 0.75 HRH2 (0.41) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL20601188 0.74 CYP2C19 (0.39) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL9185112 0.74 KDM4A (0.52) ALDH1A1MAPTNPSR1CYP3A4
SCHEMBL11242944 0.72 KDM4C (0.33) LMNA

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-20220089638-A1 DITHIOCARBAMATE STAPLED PEPTIDES AND METHODS OF MAKING AND USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE 2022-03-24 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-20220089638-A1 DITHIOCARBAMATE STAPLED PEPTIDES AND METHODS OF MAKING AND USE THEREOF TP53, TP53BP1, DNASE1L3 KEAP1 1963/4885NFE2L2 3925/4885LMNA 3555/4885

“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.