SCHEMBL16635938

SCHEMBL16635938

O=C(O)C1CC(F)CCC1c1csc(-c2ccc(F)cn2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.35
CPT1A P50416 4/20 0.35
CPT2 P23786 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP4F2 P78329 7/20 0.33
CYP4A11 Q02928 7/20 0.33
LMNA P02545 1/20 0.32
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
CPT1B Q92523 1/20 0.31
TBXA2R P21731 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
SCHEMBL16636322 0.88 HDAC9 (0.33) EIF4ECPT1ACPT2FFAR4
SCHEMBL16636324 0.88 HDAC9 (0.33) EIF4ECPT1ACPT2FFAR4
SCHEMBL16635859 0.80 HDAC9 (0.34) FFAR1CYP2C8SCDSCD5
SCHEMBL16636348 0.80 PIM1 (0.37) CPT1AFFAR4FFAR1LMNACPT1B
SCHEMBL16636010 0.75 FFAR1 (0.38) FFAR1
SCHEMBL22101587 0.71 FFAR1 (0.44) FFAR1CYP2C8TBXA2R
SCHEMBL16636344 0.71 CTSK (0.50)
SCHEMBL16636011 0.71 CTSK (0.50)
SCHEMBL16636008 0.71 CTSK (0.43)
SCHEMBL16635958 0.70 LMNA (0.50) CPT1ALMNATBXA2R

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 6 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-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO 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 EIF4E 3910/4885CPT1A 4224/4885CPT2 3253/4885

“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.