SCHEMBL29311490

SCHEMBL29311490

COc1ccn(SS)c(=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
ACHE P22303 1/20 0.36
BRD4 O60885 1/20 0.36
CMA1 P23946 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GSTP1 P09211 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 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
SCHEMBL4810016 0.74 TUBB4A (0.47) MGLLBRD4CMA1ALDH1A1MAPT
SCHEMBL9464494 0.72 IDH1 (0.44) MGLLBRD4CMA1NPC1RAB9A
SCHEMBL27250557 0.69 MGLL (0.37) MGLLBRD4CMA1ALDH1A1MAPT
SCHEMBL17392844 0.67 MAPK14 (0.70) CMA1ALDH1A1MAPTKDM4ELMNA
Formic Acid SCHEMBL30781893 0.67 TUBB4A (0.45) MGLLBRD4ALDH1A1MAPTKDM4E
SCHEMBL29161586 0.66 TNF (0.38) MAPTKDM4E
SCHEMBL23071631 0.66 MCHR1 (0.52)
SCHEMBL18011077 0.66 FGFR1 (0.50) ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL12333865 0.62 GPR119 (0.58)
SCHEMBL23414771 0.60 KDM4E (0.66) ALDH1A1MAPTKDM4EHPGDNPC1

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 MGLL 229/4885ACHE 790/4885BRD4 784/4885

“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.