SCHEMBL3271733

SCHEMBL3271733

CCON(C(=O)C1CCCN1C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C)C1COC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP2 P42575 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP8 Q14790 1/20 0.43
CASP10 Q92851 1/20 0.43
ACE P12821 2/20 0.42
PREP P48147 2/20 0.41
FKBP1A P62942 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
STAT6 P42226 5/20 0.39
ELANE P08246 1/20 0.39
CMA1 P23946 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CTSL P07711 2/20 0.38

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
SCHEMBL3470332 0.90 ACE (0.45) ACESTAT6ELANECMA1CTSL
SCHEMBL3171815 0.84 TSHR (0.49) PREPALDH1A1TSHRCTSK
SCHEMBL3314939 0.82 HTRA1 (0.39) CASP1CASP3CASP2CASP4CASP5
SCHEMBL3469548 0.82 ACE (0.46) ACEPREPCMA1CTSL
SCHEMBL1045607 0.81 CASP1 (0.36) CASP1CASP3CASP7CASP8CYP3A4
SCHEMBL3470255 0.80 CTSL (0.45) ACEPREPFKBP1ACMA1CTSL
SCHEMBL18620597 0.79 ACE (0.60) CASP1CASP3CASP2CASP4CASP5
SCHEMBL20484674 0.79 ACE (0.60) CASP1CASP3CASP2CASP4CASP5
SCHEMBL994620 0.78 PREP (0.47) PREPALDH1A1TSHRCTSK
SCHEMBL3269454 0.78 KLK7 (0.53) ACEPREPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278737-B1 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS VERTEX PHARMA (US) 2010-06-30 EP disclosed
US-7109357-B2 Process and intermediates for making substituted aspartic acid acetals VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-09-19 US disclosed
US-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals VERTEX PHARMACEUTICALS INCORPORATED 2003-06-26 US disclosed
EP-1278737-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS Vertex Pharmaceuticals Incorporated (US) 2003-01-29 EP disclosed
WO-2001081330-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-01 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-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals CASP1, CASP4, CASP2 CASP1 1/4885CASP3 5/4885CASP2 3/4885

“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.