SCHEMBL419114

SCHEMBL419114

CC(C)(C)C(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16657108 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL14587117 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL16021267 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL12190315 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL1930450 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL8216641 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL6958707 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL15447182 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL29635963 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL20825754 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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 (3 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD ALDH1A1 2218/4885MEN1 3086/4885KMT2A 3611/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ALDH1A1 2218/4885MEN1 3086/4885KMT2A 3611/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP ALDH1A1 2639/4885MEN1 3270/4885KMT2A 3519/4885

“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.