SCHEMBL21779182

SCHEMBL21779182

COCCN[C@H]1CC[C@@H](S(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.41
KDM4E B2RXH2 2/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
JAK1 P23458 1/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CD38 P28907 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
EPHX2 P34913 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNK O75909 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
SCHEMBL4761390 0.82
Hydrochloric Acid SCHEMBL1461782 0.80
Hydrochloric Acid SCHEMBL29134334 0.78 KDM4E (0.42) SMYD3KDM4EALDH1A1IRAK4JAK1
SCHEMBL190262 0.76 ALDH1A1 (0.50) SMYD3ALDH1A1MAPTGSK3BHPGD
SCHEMBL24429365 0.75 ALDH1A1 (0.46) SMYD3KDM4EALDH1A1IRAK4JAK1
SCHEMBL15384122 0.75 ALDH1A1 (0.46) SMYD3KDM4EALDH1A1IRAK4JAK1
SCHEMBL13450092 0.75 ALDH1A1 (0.46) SMYD3KDM4EALDH1A1IRAK4JAK1
SCHEMBL5482641 0.74 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL13451331 0.74
SCHEMBL5012078 0.73 KDM4E (0.39) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19

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-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 SMYD3 1/4885KDM4E 223/4885BRD4 1407/4885

“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.