SCHEMBL202116

SCHEMBL202116

COC(=O)C(N)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
HPGD P15428 2/20 0.43
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KEAP1 Q14145 1/20 0.42
TACR3 P29371 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 3/20 0.38

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
Hydrochloric Acid SCHEMBL11903029 0.98 ALOX5 (0.45) ALOX5HPGDF9F10CES2
Hydrochloric Acid SCHEMBL3625170 0.98 ALOX5 (0.45) ALOX5HPGDF9F10CES2
SCHEMBL6032863 0.83 ALOX5 (0.44) ALOX5HPGDCES2CES1KEAP1
SCHEMBL11879401 0.82 ALOX5 (0.42) ALOX5HPGDF9F10CES2
SCHEMBL11282893 0.82 ALOX5 (0.38) ALOX5HPGDF9F10CES2
SCHEMBL2821064 0.81 HPGD (0.45) ALOX5HPGDF9F10CES2
SCHEMBL9779472 0.81 ALOX5 (0.43) ALOX5HPGDF9F10CES2
SCHEMBL9000694 0.80 CES2 (0.56) ALOX5HPGDF9F10CES2
SCHEMBL2370589 0.80 HPGD (0.55) ALOX5HPGDCES2CES1KEAP1
SCHEMBL12895886 0.80 HPGD (0.55) ALOX5HPGDCES2CES1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
US-6207710-B1 FOR THERAPY OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
CN-1238779-A Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARM INC (US) 1999-12-15 CN disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed
US-3965099-A Cephalosporin esters with antibacterial activity SMITHKLINE CORPORATION (US) 1976-06-22 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 ALOX5 910/4885HPGD 1235/4885F9 4624/4885
US-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 ALOX5 1855/4885HPGD 2240/4885F9 4477/4885

“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.