SCHEMBL21870591

SCHEMBL21870591

CC(C)CN[C@@H]1CCS(=O)(=O)C1

nearest known ligand 0.96

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
CTSK P43235 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.42
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL11205801 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCTSKSMN1; SMN2POLB
SCHEMBL21870595 1.00 ALDH1A1 (0.48) ALDH1A1MAPTCTSKSMN1; SMN2POLB
SCHEMBL21660824 0.88 CTSK (0.39) ALDH1A1MAPTCTSKSMN1; SMN2POLB
SCHEMBL11203880 0.87 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL11813285 0.85 ALDH1A1 (0.47) ALDH1A1MAPTCTSKSMN1; SMN2POLB
SCHEMBL4546603 0.83 ALDH1A1 (0.44) ALDH1A1MAPTCTSKSMN1; SMN2POLB
SCHEMBL24909670 0.83 NFE2L2 (0.37) ALDH1A1MAPTCTSKSMN1; SMN2POLB
SCHEMBL23665158 0.81 CTSK (0.33) ALDH1A1MAPTCTSK
SCHEMBL21870596 0.81 CTSK (0.33) ALDH1A1MAPTCTSK
SCHEMBL469045 0.79 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2HTTL3MBTL1

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-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 US disclosed
WO-2020061375-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2020-03-26 WO 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-20210221796-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC ALDH1A1 2040/4885MAPT 2641/4885CTSK 249/4885

“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.