SCHEMBL4904600

SCHEMBL4904600

CC(C)(C)OC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
PPARA Q07869 3/20 0.54
ATM Q13315 1/20 0.51
CTSS P25774 4/20 0.51
CTSL P07711 2/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 2/20 0.49
CTSK P43235 3/20 0.49
CTSB P07858 1/20 0.49
KLK5 Q9Y337 3/20 0.47
ACE P12821 1/20 0.47
KLK7 P49862 1/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL14768567 1.00 SYK (0.57) SYKPPARAATMCTSSCTSL
SCHEMBL24049692 0.95 SYK (0.53) SYKPPARAATMCTSSCTSL
SCHEMBL34470799 0.93 SYK (0.56) SYKPPARAATMCTSSCTSL
SCHEMBL34471377 0.89 SYK (0.55) SYKPPARAATMCTSSCTSL
SCHEMBL21156218 0.89 SYK (0.55) SYKPPARAATMCTSSCTSL
SCHEMBL24050009 0.89 SYK (0.50) SYKPPARAATMCTSSCTSL
SCHEMBL2436732 0.88 SYK (0.54) SYKPPARAATMCTSSCTSL
SCHEMBL14768586 0.88 SYK (0.57) SYKPPARAATMCTSSCTSL
SCHEMBL24049752 0.86 CTSD (0.53) SYKPPARACTSSCTSLCTSK
SCHEMBL24837873 0.86 SYK (0.52) SYKPPARAATMCTSSCTSL

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-20210363119-A1 PROTEASOME INHIBITORS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2021-11-25 US disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 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 (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-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 SYK 4437/4885PPARA 3340/4885ATM 4728/4885
US-20210363119-A1 PROTEASOME INHIBITORS TP53, CDKN1A, PSME1 SYK 3168/4885PPARA 3301/4885ATM 498/4885

“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.