SCHEMBL16635781

SCHEMBL16635781

COC(=O)[C@@H]1CCCC[C@H]1c1csc(-c2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
CPT1A P50416 2/20 0.46
SLC6A4 P31645 1/20 0.46
LMNA P02545 2/20 0.43
NTMT1 Q9BV86 3/20 0.42
TP53 P04637 1/20 0.41
UGCG Q16739 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL16635783 1.00 SLC6A2 (0.46) SLC6A2CPT1ASLC6A4LMNANTMT1
SCHEMBL16635958 0.86 LMNA (0.50) CPT1ALMNA
SCHEMBL16636099 0.78 SLC6A2 (0.45) SLC6A2CPT1ASLC6A4
SCHEMBL16636407 0.78 SLC6A2 (0.45) SLC6A2SLC6A4
SCHEMBL16636408 0.78 SLC6A2 (0.45) SLC6A2SLC6A4
SCHEMBL16636338 0.77 HPGD (0.48) SLC6A2SLC6A4LMNA
SCHEMBL16636340 0.77 HPGD (0.48) SLC6A2SLC6A4LMNA
SCHEMBL16636564 0.74 SLC6A2 (0.39) SLC6A2CPT1ASLC6A4LMNA
SCHEMBL16636565 0.74 SLC6A2 (0.39) SLC6A2CPT1ASLC6A4LMNA
SCHEMBL16635935 0.73 SLC6A2 (0.49) SLC6A2CPT1ASLC6A4

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
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US disclosed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ SLC6A2 4308/4885CPT1A 4224/4885SLC6A4 4386/4885

“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.