SCHEMBL13036484

SCHEMBL13036484

CC(C)CC(NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.62
CTSS P25774 4/20 0.58
CTSL P07711 3/20 0.58
CTSB P07858 3/20 0.58
ATM Q13315 1/20 0.54
ELANE P08246 1/20 0.54
ACE2 Q9BYF1 1/20 0.53
SYK P43405 1/20 0.52

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
SCHEMBL14569560 1.00 CTSK (0.62) CTSKCTSSCTSLCTSBATM
SCHEMBL12142665 0.87 SYK (0.53) CTSKCTSSCTSLCTSBATM
SCHEMBL21372402 0.87 SYK (0.53) CTSKCTSSCTSLCTSBATM
SCHEMBL13036482 0.87 CTRB1 (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL13219608 0.87 SYK (0.60) CTSKCTSSCTSLCTSBATM
SCHEMBL12564718 0.87 SYK (0.60) CTSKCTSSCTSLCTSBATM
SCHEMBL14569563 0.87 CTRB1 (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL6963239 0.86 CASP1 (0.53) CTSKCTSSCTSLCTSBATM
SCHEMBL7681968 0.84 SYK (0.51) CTSKCTSSCTSLCTSBATM
SCHEMBL7389166 0.84 SYK (0.51) CTSKCTSSCTSLCTSBATM

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-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 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-20230148179-A1 SMALL MOLECULE INHIBITORS OF SARS-CoV-2 VIRAL REPLICATION AND USES THEREOF ACE2, ACE, SARS1 CTSK 86/4885CTSS 29/4885CTSL 6/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 CTSK 3053/4885CTSS 2350/4885CTSL 4340/4885

“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.