SCHEMBL3744909

SCHEMBL3744909

CC(C)(C)OC(=O)NC(CO[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.50
PPARG P37231 5/20 0.50
PPARD Q03181 2/20 0.47
CTSK P43235 8/20 0.45
CTSS P25774 7/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
ACE P12821 1/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
MMP13 P45452 1/20 0.42
ATM Q13315 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
SCHEMBL3744912 1.00 PPARA (0.50) PPARAPPARGPPARDCTSKCTSS
SCHEMBL19661501 0.94 CTSS (0.47) PPARAPPARGPPARDCTSKCTSS
SCHEMBL2736660 0.83 ALDH1A1 (0.43) ATM
SCHEMBL2736661 0.83 ALDH1A1 (0.43) ATM
SCHEMBL15129729 0.82 PPARA (0.48) PPARAPPARGPPARDCTSKCTSS
SCHEMBL4388129 0.82 PPARA (0.48) PPARAPPARGPPARDCTSKCTSS
SCHEMBL7991202 0.82 PPARA (0.48) PPARAPPARGPPARDCTSKCTSS
SCHEMBL13044347 0.81 PPARA (0.53) PPARAPPARGPPARDCTSKCTSS
SCHEMBL13044357 0.81 PPARA (0.53) PPARAPPARGPPARDCTSKCTSS
SCHEMBL834064 0.80 PPARA (0.54) PPARAPPARGPPARDCTSKCTSS

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-7829304-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2010-11-09 US disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-03 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 (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-20050245616-A1 Compounds and related methods for mutant p53 reactivation TP53, TP53BP1, MDM2 PPARA 1324/4885PPARG 687/4885PPARD 1229/4885

“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.