SCHEMBL1624359

SCHEMBL1624359

O=C[C@@H]1CCC(F)(F)C[C@H]1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.34
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5026595 1.00 LMNA (0.36) LMNATSHRBCHEACHECTSL
SCHEMBL5117022 1.00 LMNA (0.36) LMNATSHRBCHEACHECTSL
SCHEMBL17008624 0.81 FFAR4 (0.43) LMNAEPHX2SCN9A
SCHEMBL18279743 0.81 FFAR4 (0.43) LMNAEPHX2SCN9A
SCHEMBL1623867 0.80 LMNA (0.37) LMNATSHRBCHEACHECTSL
SCHEMBL1623869 0.80 LMNA (0.37) LMNATSHRBCHEACHECTSL
SCHEMBL28738071 0.77 TSHR (0.42) LMNATSHRBCHEACHECTSL
SCHEMBL18279737 0.77 CPB1 (0.42) LMNATSHRACHEEPHX2
SCHEMBL23851449 0.75 TSHR (0.47) LMNATSHRBCHEACHECTSL
SCHEMBL17008259 0.75 PKM (0.41) TSHR

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-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-9656990-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-23 US disclosed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
US-7928091-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2011-04-19 US disclosed
US-20090093444-A1 Cathepsin Cysteine Protease Inhibitors MERCK FROSST CANADA LTD. (CA) 2009-04-09 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 (2 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-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ LMNA 2431/4885TSHR 3675/4885BCHE 493/4885
US-20090093444-A1 Cathepsin Cysteine Protease Inhibitors CTSB, CTSS, CTSZ LMNA 2431/4885TSHR 3675/4885BCHE 493/4885

“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.