SCHEMBL4197944

SCHEMBL4197944

CC(NC(=O)O)C(=O)N1CCCCC1C(=O)N(OCc1ccccc1)C1COC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.42
FKBP1A P62942 7/20 0.41
ACE P12821 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CTSL P07711 1/20 0.37
LTA4H P09960 3/20 0.36

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
SCHEMBL3470255 0.92 CTSL (0.45) PREPFKBP1AACECTSL
SCHEMBL3469548 0.90 ACE (0.46) PREPACECTSL
SCHEMBL3470332 0.83 ACE (0.45) ACECTSL
SCHEMBL3470498 0.83 KLK7 (0.50) FKBP1ACPT2CPT1A
SCHEMBL3269454 0.80 KLK7 (0.53) PREPFKBP1AACE
SCHEMBL3271733 0.78 CASP1 (0.43) PREPFKBP1AACECTSL
SCHEMBL994037 0.77 PREP (0.50) PREPLMNA
SCHEMBL3171815 0.77 TSHR (0.49) PREPLMNASMN1; SMN2
SCHEMBL3470095 0.76 CMA1 (0.38) ACELMNACTSL
SCHEMBL994620 0.76 PREP (0.47) PREPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691848-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-08 US disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-20030232986-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 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 (2 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-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 PREP 203/4885FKBP1A 512/4885ACE 344/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 PREP 201/4885FKBP1A 481/4885ACE 339/4885

“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.