SCHEMBL6503900

SCHEMBL6503900

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)c2ccccc12)C(=O)NCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.52
CTSK P43235 6/20 0.52
CTSL P07711 3/20 0.48
IDO1 P14902 2/20 0.47
ACHE P22303 1/20 0.46
CTSB P07858 1/20 0.46
AKT1 P31749 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPRA P18433 1/20 0.45
TERT O14746 2/20 0.45

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
SCHEMBL6491657 0.87 CTSS (0.47) CTSSCTSKCTSLIDO1ACHE
SCHEMBL6494201 0.82 CTSS (0.54) CTSSCTSKCTSLIDO1CTSB
SCHEMBL7443477 0.82 CTSL (0.72) CTSSCTSKCTSLACHETERT
SCHEMBL7439589 0.82 CTSL (0.72) CTSSCTSKCTSLACHETERT
SCHEMBL10653885 0.81 CTSS (0.68) CTSSCTSKCTSLCTSBAKT1
SCHEMBL6495441 0.80 TACR1 (0.51) CTSSCTSKCTSLCTSB
SCHEMBL2405030 0.77 CTSS (0.74) CTSSCTSKCTSLCTSBAKT1
SCHEMBL2442224 0.77 CTSS (0.74) CTSSCTSKCTSLCTSBAKT1
SCHEMBL2404125 0.77 CTSS (0.74) CTSSCTSKCTSLCTSBAKT1
SCHEMBL2444606 0.77 CTSS (0.74) CTSSCTSKCTSLCTSBAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO 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-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CTSS 1056/4885CTSK 300/4885CTSL 661/4885

“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.