SCHEMBL16635687

SCHEMBL16635687

CC1(C)OB(c2ccc(N3CCS(=O)(=NC(=O)C(F)(F)F)CC3)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.44
F2 P00734 3/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
F10 P00742 1/20 0.35
LIPG Q9Y5X9 5/20 0.35
LPL P06858 4/20 0.35
ABHD6 Q9BV23 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
P4HB P07237 1/20 0.33
ROCK1 Q13464 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL18027647 0.86 F11 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL16635753 0.82 LPL (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL1236200 0.78 KDM4E (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL16635690 0.78 F11 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL16635667 0.77 AKR1C3 (0.40) F10ABHD6ALDH1A1KDM4ECA2
Trifluoroacetic Acid SCHEMBL20294675 0.74 F2 (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL19583 0.73 ALDH1A1 (0.49) LIPGLPLALDH1A1KDM4ELMNA
SCHEMBL24504528 0.73 MAPK1 (0.43) F11F2PRSS1PRSS2PRSS3
SCHEMBL24511506 0.72 LPL (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL15775083 0.71 LPL (0.46) F11F2PRSS1PRSS2PRSS3

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 20 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
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
EP-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
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-9656990-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-23 US disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
EP-3104705-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-12-21 EP disclosed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 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-2015123089-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO disclosed
WO-2015123089-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO disclosed
WO-2015120580-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO 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
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 (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 F11 1372/4885F2 1793/4885PRSS1 16/4885
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ F11 1372/4885F2 1793/4885PRSS1 16/4885

“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.