SCHEMBL12450952

SCHEMBL12450952

C=CCN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)NCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
REN P00797 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP3 P08254 4/20 0.39
HPGD P15428 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CTSD P07339 1/20 0.37

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
SCHEMBL27413418 0.89 MMP1 (0.42) CTSSCTSKCTSLCTSBATM
SCHEMBL948167 0.86 L3MBTL1 (0.43) CTSSCTSKCTSLCTSBATM
SCHEMBL948156 0.86 L3MBTL1 (0.43) CTSSCTSKCTSLCTSBATM
SCHEMBL6593761 0.85 ITGA4 (0.44) CTSSCTSKCTSLCTSBATM
SCHEMBL6593765 0.85 ITGA4 (0.44) CTSSCTSKCTSLCTSBATM
SCHEMBL7293819 0.85 ITGA4 (0.44) CTSSCTSKCTSLCTSBATM
SCHEMBL6588963 0.81 HPGD (0.48) CTSSCTSLCTSBL3MBTL1HPGD
SCHEMBL6588969 0.81 HPGD (0.48) CTSSCTSLCTSBL3MBTL1HPGD
SCHEMBL12914627 0.81 PSEN1 (0.40) CTSSCTSLCTSBRENL3MBTL1
SCHEMBL8864083 0.80 ATM (0.41) CTSSCTSKCTSLCTSBATM

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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CTSS 96/4885CTSK 114/4885CTSL 105/4885

“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.