SCHEMBL12413685

SCHEMBL12413685

C=S1(=O)CCC(NC(=O)C(=O)C(CCC)NC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL12401733 0.88 HTT (0.43) HTTGAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL12401538 0.82 SMN1; SMN2 (0.36) GAASMN1; SMN2
SCHEMBL12401540 0.82 SMN1; SMN2 (0.36) GAASMN1; SMN2
SCHEMBL12401717 0.79 SMN1; SMN2 (0.43) GAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL12401672 0.78 SMN1; SMN2 (0.45) GAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14943449 0.74 SMN1; SMN2 (0.46) HTTGAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL12571970 0.71 ALDH1A1 (0.49) HTTGAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL12401663 0.71 MME (0.45) LMNA
SCHEMBL12401535 0.70 CTSK (0.36)
SCHEMBL12401532 0.70 CTSK (0.36)

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-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 HTT 3023/4885GAA 773/4885MAPK1 971/4885

“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.