SCHEMBL6302735

SCHEMBL6302735

CC(C)(C)c1cc(N)c(N)cc1SC#N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
USP8 P40818 1/20 0.42
USP5 P45974 1/20 0.42
USP4 Q13107 1/20 0.42
USP7 Q93009 1/20 0.42
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.31

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
SCHEMBL7637047 0.87 USP2 (0.39) USP2USP8USP5USP4USP7
SCHEMBL11368421 0.81 USP2 (0.42) USP2USP8USP5USP4USP7
SCHEMBL11365704 0.75 USP2 (0.38) USP2USP8USP5USP4USP7
SCHEMBL11173991 0.74 USP2 (0.56) USP2USP8USP5USP4USP7
SCHEMBL11374139 0.74 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL8011042 0.73 ALOX15 (0.43) USP2USP8USP5USP4USP7
SCHEMBL6296276 0.72 SMN1; SMN2 (0.44) USP2USP8USP5USP4USP7
SCHEMBL13561409 0.71 PTK2 (0.44) ALDH1A1MAPTPOLBHTT
SCHEMBL6296279 0.70 GRIN2D (0.37) USP2USP8USP5USP4USP7
SCHEMBL11367939 0.69 USP2 (0.47) USP2USP8USP5USP4USP7

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-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 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 (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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD USP2 2052/4885USP8 2307/4885USP5 1370/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD USP2 2061/4885USP8 2273/4885USP5 1328/4885

“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.