SCHEMBL22004182

SCHEMBL22004182

CCC(CC)c1ccsc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
L3MBTL1 Q9Y468 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPK8 P45983 3/20 0.43
MAPK9 P45984 3/20 0.43
MAPK10 P53779 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL21914142 0.85 KMT2A (0.58) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL13145506 0.81 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL25131449 0.80 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL8628975 0.79 KMT2A (0.54) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL30432306 0.79 PKM (0.42) KMT2AL3MBTL1ALDH1A1MEN1HPGD
SCHEMBL8627524 0.78 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL27928357 0.78 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL14720965 0.77 KMT2A (0.51) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL15203323 0.77 KMT2A (0.51) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL8630249 0.75 KMT2A (0.62) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG KMT2A 1976/4885L3MBTL1 2716/4885ALDH1A1 1455/4885

“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.