SCHEMBL16617505

SCHEMBL16617505

COC(=O)C1CCCCC1c1oc(-c2cccc(Cl)c2F)nc1-c1ccc(N2CCS(O)(O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.47
MAP4K1 Q92918 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
DGAT1 O75907 6/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL16617504 0.94 CTSK (0.54) CTSKMAP4K1SLC6A2SLC6A4DGAT1
SCHEMBL16618096 0.91 CTSK (0.48) CTSKMAP4K1DGAT1
SCHEMBL16617751 0.91 CTSK (0.48) CTSKMAP4K1DGAT1
SCHEMBL16617813 0.85 SLC6A2 (0.39) CTSKSLC6A2SLC6A4SMN1; SMN2ACHE
SCHEMBL16617814 0.85 SLC6A2 (0.39) CTSKSLC6A2SLC6A4SMN1; SMN2ACHE
SCHEMBL16618095 0.85 CTSK (0.55) CTSKMAP4K1DGAT1
SCHEMBL16617749 0.85 CTSK (0.55) CTSKMAP4K1DGAT1
SCHEMBL16617500 0.85 CTSK (0.69) CTSK
SCHEMBL16617304 0.79 CTSK (0.47) CTSKSLC6A2SLC6A4DGAT1
SCHEMBL16617502 0.79 CTSK (0.78) CTSK

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
EP-3055314-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 EP disclosed
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 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-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885MAP4K1 2664/4885SLC6A2 4308/4885

“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.