SCHEMBL17446797

SCHEMBL17446797

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.53
▸ CTSK P43235 4/20 0.53
▸ PSENEN Q9NZ42 3/20 0.47
▸ REN P00797 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PSEN1 P49768 2/20 0.41
▸ PSEN2 P49810 2/20 0.41
▸ APH1B Q8WW43 2/20 0.41
▸ NCSTN Q92542 2/20 0.41
▸ APH1A Q96BI3 2/20 0.41
▸ CA2 P00918 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
SCHEMBL10308404 0.94 CTSS (0.54) CTSSCTSKPSENENBACE1CA2
SCHEMBL29558421 0.90 CTSS (0.56) CTSSCTSKBACE1CA2CA1
SCHEMBL12835706 0.90 CTSS (0.56) CTSSCTSKBACE1CA2CA1
SCHEMBL17446799 0.89 CTSS (0.56) CTSSCTSKPSENENRENCTSD
SCHEMBL11165901 0.87 CTSS (0.53) CTSSCTSKPSENENRENBACE1
SCHEMBL2306568 0.86 CTSK (0.47) CTSSCTSKCA2CA1CA7
SCHEMBL2398972 0.86 CTSK (0.47) CTSSCTSKCA2CA1CA7
SCHEMBL6409351 0.86 CTSK (0.47) CTSSCTSKCA2CA1CA7
SCHEMBL22508146 0.84 CTSK (0.55) CTSSCTSKPSENENBACE1PSEN1
SCHEMBL805223 0.84 CTSK (0.55) CTSSCTSKPSENENBACE1PSEN1

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 1703/4885PSENEN 2034/4885

“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.

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