SCHEMBL7104010

SCHEMBL7104010

COC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 3/20 0.59
CTSK P43235 3/20 0.57
CTSS P25774 2/20 0.57
KLK5 Q9Y337 1/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CTSD P07339 1/20 0.45
PREP P48147 1/20 0.44
TRPA1 O75762 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL2548149 1.00 PSENEN (0.59) PSENENCTSKCTSSKLK5PSEN1
SCHEMBL17137934 1.00 PSENEN (0.59) PSENENCTSKCTSSKLK5PSEN1
SCHEMBL247552 0.93 CTSK (0.55) PSENENCTSKCTSSKLK5CA2
SCHEMBL8807250 0.93 CTSK (0.55) PSENENCTSKCTSSKLK5CA2
SCHEMBL1505521 0.93 CTSK (0.55) PSENENCTSKCTSSKLK5CA2
SCHEMBL30064660 0.92 CTSK (0.59) PSENENCTSKCTSSCA2CA1
SCHEMBL10175868 0.89 PSENEN (0.58) PSENENCTSKCTSSKLK5CA2
SCHEMBL19089931 0.89 PSENEN (0.58) PSENENCTSKCTSSKLK5CA2
SCHEMBL16667761 0.89 PSENEN (0.58) PSENENCTSKCTSSKLK5CA2
SCHEMBL30698109 0.89 PSENEN (0.52) PSENENCTSKCTSSKLK5PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 PSENEN 3142/4885CTSK 274/4885CTSS 157/4885
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 PSENEN 3929/4885CTSK 4035/4885CTSS 4146/4885

“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.