SCHEMBL17446708

SCHEMBL17446708

COC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSK P43235 4/20 0.56
CTSL P07711 2/20 0.56
CTSB P07858 2/20 0.56
KLK5 Q9Y337 1/20 0.53
ACE P12821 1/20 0.52
REN P00797 9/20 0.51
AKT1 P31749 1/20 0.50

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
SCHEMBL17446701 0.93 PPARA (0.54) CTSSCTSKCTSLCTSBKLK5
SCHEMBL19020373 0.93 PPARA (0.54) CTSSCTSKCTSLCTSBKLK5
SCHEMBL2301376 0.93 PPARA (0.54) CTSSCTSKCTSLCTSBKLK5
SCHEMBL11599295 0.91 CTSL (0.60) CTSSCTSKCTSLCTSBACE
SCHEMBL17446651 0.90 CTSK (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL17446800 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBKLK5
SCHEMBL17347936 0.89 CTSS (0.53) CTSSCTSKCTSLCTSBKLK5
SCHEMBL22300883 0.89 CTSS (0.53) CTSSCTSKCTSLCTSBKLK5
SCHEMBL17534514 0.89 KLK5 (0.49) CTSSCTSKKLK5REN
SCHEMBL17534512 0.89 KLK5 (0.49) CTSSCTSKKLK5REN

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-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 US disclosed
WO-2016008946-A1 NOVEL COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-01-21 WO disclosed
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 EP 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-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 CTSS 2003/4885CTSK 1703/4885CTSL 1576/4885

“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.