SCHEMBL80328

SCHEMBL80328

[O]c1c(F)ccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.42
CES1 P23141 5/20 0.42
BCHE P06276 1/20 0.35
DAO P14920 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL45430 0.73 CES2 (0.53) CES2CES1BCHEDAOCTSL
SCHEMBL78856 0.71 CES2 (0.46) CES2CES1BCHEDAO
SCHEMBL11355080 0.70 CES2 (0.50) CES2CES1BCHEDAOCTSL
Ammonia Solution, Strong SCHEMBL3047305 0.70 CES2 (0.50) CES2CES1BCHEDAOCTSL
SCHEMBL3975406 0.70 CES2 (0.50) CES2CES1BCHEDAOCTSL
SCHEMBL4461977 0.70 DGAT1 (0.47) CES2CES1BCHE
SCHEMBL78210 0.69 CA1 (0.43) CES2CES1
SCHEMBL331592 0.69
Hydrazine SCHEMBL3793747 0.67 CES2 (0.48) CES2CES1BCHEDAO
SCHEMBL5609948 0.66 CES2 (0.32) CES2CES1

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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US claimed
US-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 US claimed
EP-3512846-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-24 EP claimed
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-11 US claimed
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO claimed
EP-1015641-B1 SIMPLIFIED SEQUENTIAL CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2007-06-13 EP claimed
EP-1015641-A4 SIMPLIFIED SEQUENTIAL CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2003-04-16 EP claimed
EP-0938677-A4 CHEMILUMINESCENT DETECTION METHODS USING DUAL ENZYME-LABELED BINDING PARTNERS LUMIGEN INC (US) 2000-09-27 EP claimed
EP-1015641-A1 SIMPLIFIED SEQUENTIAL CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 2000-07-05 EP claimed
US-6068979-A IMMOBILIZING TARGETS, CONTACTING WITH LABELED SPECIFIC BINDING PARTNERS FOR EACH TARGET, REACTING WITH SUBSTRATE FOR FIRST LABEL, DETECTING, REACTING WITH SUBSTRATE FOR SECOND ENZYME, DETECTING; ELIMINATES NEED FOR STRIPPING/REPROBING LUMIGEN, INC. (US) 2000-05-30 US claimed
WO-1999054503-B1 SIMPLIFIED SEQUENTIAL CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 1999-11-25 WO claimed
WO-1999054503-A1 SIMPLIFIED SEQUENTIAL CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1999-10-28 WO claimed
EP-0938677-A1 CHEMILUMINESCENT DETECTION METHODS USING DUAL ENZYME-LABELED BINDING PARTNERS LUMIGEN, INC. (US) 1999-09-01 EP claimed
US-5843666-A Chemiluminescent detection methods using dual enzyer-labeled binding partners LUMIGEN, INC. (US) 1998-12-01 US claimed
WO-1998021586-A1 CHEMILUMINESCENT DETECTION METHODS USING DUAL ENZYME-LABELED BINDING PARTNERS LUMIGEN, INC. (US) 1998-05-22 WO claimed
US-20230395857-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2023-12-07 US disclosed
CN-109983012-B Ketone inhibitors of lysine gum protease 莱特豪斯制药公司 2023-12-01 CN disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP 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 (3 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-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CES2 1035/4885CES1 124/4885BCHE 148/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CES2 1035/4885CES1 124/4885BCHE 148/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CES2 1035/4885CES1 124/4885BCHE 148/4885

“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.