SCHEMBL6043847

SCHEMBL6043847

[CH2]CC(=O)N1CCSC(=O)C1=O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NOTUM Q6P988 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL6043422 0.86 LMNA (0.34) MAPT
SCHEMBL6943936 0.83 ALDH1A1 (0.31) ALDH1A1NPC1PPARGHTTRAB9A
SCHEMBL9029196 0.80 LMNA (0.35) ALDH1A1NPC1PPARGHTTRAB9A
SCHEMBL6946328 0.79 ALDH1A1 (0.33) ALDH1A1NPC1PPARGHTTRAB9A
SCHEMBL6042208 0.77 NAAA (0.33) MAPTKMT2A
SCHEMBL4978466 0.76 ALDH1A1 (0.37) ALDH1A1NPC1PPARGHTTRAB9A
SCHEMBL17338110 0.71 ALDH1A1 (0.36) ALDH1A1NPC1PPARGHTTRAB9A
SCHEMBL4974655 0.68 MAPK1 (0.31) ALDH1A1
SCHEMBL16416175 0.67 USP2 (0.38) MAPT
SCHEMBL1219320 0.65

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 ALDH1A1 1039/4885NPC1 2706/4885PPARG 2321/4885

“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.