SCHEMBL9963191

SCHEMBL9963191

CC(C)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
AKR1B1 P15121 1/20 0.42
CCR2 P41597 2/20 0.42
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL9963189 0.84 PSEN1 (0.46) POLBLMNAPSEN1PSEN2APH1B
SCHEMBL17069239 0.82 TSHR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20149266 0.81 L3MBTL1 (0.43) POLBLMNAALDH1A1TDP1NPC1
SCHEMBL14443238 0.81 CCR2 (0.50) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL20085640 0.81 NPC1 (0.42) POLBLMNAPSEN1PSEN2APH1B
SCHEMBL13797487 0.81 AKR1B1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11759513 0.80 AKR1B1 (0.42) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL2060749 0.79 ATM (0.56) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL20085643 0.79 ATM (0.47) POLBLMNAPSEN1PSEN2APH1B
SCHEMBL14443241 0.78 MEP1B (0.45) POLBLMNAPSEN1PSEN2APH1B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 US disclosed
US-9878047-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-09-15 US disclosed
US-9315542-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9309283-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-12 US disclosed
US-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. 2014-04-17 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (7 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-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors PREP, VIP, PEPD POLB 4109/4885LMNA 1138/4885PSEN1 639/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 POLB 3778/4885LMNA 3607/4885PSEN1 326/4885
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD POLB 4109/4885LMNA 1138/4885PSEN1 639/4885
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD POLB 4109/4885LMNA 1138/4885PSEN1 639/4885
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD POLB 4109/4885LMNA 1138/4885PSEN1 639/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 POLB 1939/4885LMNA 4386/4885PSEN1 4835/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 POLB 1198/4885LMNA 1824/4885PSEN1 2105/4885

“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.