SCHEMBL3740158

SCHEMBL3740158

CC(C)(C)OC(=O)N(C=O)C(CO[Si](C)(C)C(C)(C)C)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
BTN3A1 O00481 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
XBP1 P17861 2/20 0.35
HTT P42858 2/20 0.35
JAK2 O60674 1/20 0.35
S1PR4 O95977 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL3804367 0.89 OPRM1 (0.38) ATMBTN3A1OPRM1OPRD1OPRK1
SCHEMBL3740329 0.82 ATM (0.43) ATMITGA4ITGB7NPSR1OPRM1
SCHEMBL4860811 0.76 NPSR1 (0.44) NPSR1CTSSHTR2CSLC6A4L3MBTL1
SCHEMBL2241194 0.75 SLC6A2 (0.38) SLC6A4
SCHEMBL4698511 0.74 CYP1A2 (0.54)
SCHEMBL13826644 0.73 CTSS (0.42) ATMITGA4ITGB7NPSR1OPRM1
SCHEMBL20734806 0.73 ATM (0.42) ATMITGA4ITGB7NPSR1ALDH1A1
SCHEMBL5744549 0.72 ATM (0.39) ATMITGA4ITGB7POLBMAPT
SCHEMBL9977219 0.72 ATM (0.43) ATMITGA4ITGB7NPSR1OPRM1
SCHEMBL7663381 0.72 TAAR1 (0.37) ATMBTN3A1CTSLCTSBCTSK

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
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
WO-2005042481-A2 COMPOUNDS AND RELATED METHODS FOR MUTANT p53 REACTIVATION NORTHWESTERN UNIVERSITY (US) 2005-05-12 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-20050245616-A1 Compounds and related methods for mutant p53 reactivation TP53, TP53BP1, MDM2 ATM 340/4885ITGA4 4763/4885ITGB7 4789/4885

“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.