SCHEMBL3738889

SCHEMBL3738889

CC(C)(C)N(C(=O)O)C(CO)C(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.35
TACR1 P25103 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 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
SCHEMBL9103905 0.86 CYP3A4 (0.42) CTSDCTSLCTSBCTSSALDH1A1
SCHEMBL4702765 0.82 CYP3A4 (0.42) CTSDCTSLCTSBCTSSALDH1A1
SCHEMBL4704578 0.82 ALDH1A1 (0.37) CTSDCTSLCTSBCTSSALDH1A1
SCHEMBL4705463 0.82 ALDH1A1 (0.37) CTSDCTSLCTSBCTSSALDH1A1
SCHEMBL4706202 0.82 CYP3A4 (0.39) CTSDCTSLCTSBCTSSALDH1A1
SCHEMBL4703501 0.81 ALDH1A1 (0.33) CTSDCTSLCTSBCTSSALDH1A1
SCHEMBL4704282 0.78 CHRM1 (0.44) ALDH1A1SMN1; SMN2TSHRTACR1HTT
SCHEMBL4705390 0.78 TSHR (0.46) ALDH1A1SMN1; SMN2TSHR
SCHEMBL3741639 0.76 CTSS (0.48) CTSLCTSBCTSSALDH1A1SMN1; SMN2
SCHEMBL4702059 0.76 OPRD1 (0.41) ALDH1A1TSHRHTT

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 CTSD 3049/4885CTSL 2371/4885CTSB 1922/4885

“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.