SCHEMBL31366213

SCHEMBL31366213

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CMA1 P23946 2/20 0.51
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44

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
SCHEMBL30022691 0.89 HDAC3 (0.48) CTSSCTSKCMA1HDAC3HDAC4
SCHEMBL8088239 0.83 ALOX15 (0.53) CTSSCTSKHDAC3HDAC4HDAC1
SCHEMBL8228460 0.79 HDAC3 (0.48) CTSSCTSKHDAC3HDAC4HDAC1
SCHEMBL8086699 0.79 CTSL (0.58) CTSSCTSKCTSLPOLBACE
SCHEMBL23042492 0.78 PTPRB (0.42) CTSSCTSKCMA1HDAC3HDAC4
SCHEMBL13093577 0.77 HDAC3 (0.53) CTSSCTSKCMA1HDAC3HDAC4
SCHEMBL2108343 0.77 CTSS (0.68) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL2108340 0.77 CTSS (0.68) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL15275068 0.76 PTPN1 (0.58) CTSSCTSKHDAC3HDAC4HDAC1
SCHEMBL12616773 0.76 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051283-A1 THERAPEUTIC COMPOUNDS AND METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-02-13 — — 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-20250051283-A1 THERAPEUTIC COMPOUNDS AND METHODS EIF2AK2, SARS1, REN CTSS 1617/4885CTSK 3060/4885CMA1 532/4885

“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.

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