SCHEMBL25527211

SCHEMBL25527211

CCCCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.48
CTSS P25774 6/20 0.48
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 2/20 0.39
CAPN1 P07384 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL23822627 1.00 CTSK (0.48) CTSKCTSSCYP1A2CYP3A4CYP2C19
SCHEMBL15289784 1.00 CTSK (0.48) CTSKCTSSCYP1A2CYP3A4CYP2C19
SCHEMBL16582455 0.91 CTSK (0.43) CTSKCTSSCYP1A2CYP3A4CYP2C19
SCHEMBL15289834 0.88 CTSK (0.49) CTSKCTSSCYP1A2CYP2C19PPARA
SCHEMBL16558033 0.86 CTSK (0.49) CTSKCTSSCYP1A2CYP2C19PPARA
SCHEMBL20057099 0.86 CTSK (0.49) CTSKCTSSCYP1A2CYP2C19PPARA
SCHEMBL15289819 0.85 CTSK (0.47) CTSKCTSSCYP1A2CYP2C19PPARA
SCHEMBL16582473 0.85 CTSK (0.46) CTSKCTSSPPARACAPN1CTSL
SCHEMBL13365298 0.85 PPARA (0.53) CTSKCTSSPPARACAPN1CTSL
SCHEMBL805173 0.85 PPARA (0.53) CTSKCTSSPPARACAPN1CTSL

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-20230159475-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-05-25 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-20230159475-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF CD47, CD74, ICOS CTSK 772/4885CTSS 910/4885CYP1A2 4494/4885

“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.