SCHEMBL14798202

SCHEMBL14798202

COC(=O)C(C)c1ccc(F)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 2/20 0.47
MAOB P27338 4/20 0.42
APP P05067 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 1/20 0.39
PDE4A P27815 1/20 0.39

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
Acetic Acid SCHEMBL21808210 0.95 PTGS1 (0.47) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL24875457 0.87 MT-CO2 (0.47) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL30192791 0.87 MT-CO2 (0.47) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL8476208 0.87 MT-CO2 (0.47) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL31560842 0.85 PTGS1 (0.50) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL11216724 0.82 ALDH1A1 (0.58) MT-CO2PTGS2PTGS1MAOBNPC1
SCHEMBL31430560 0.82 ALDH1A1 (0.58) MT-CO2PTGS2PTGS1MAOBNPC1
SCHEMBL732665 0.81 AKR1C3 (0.55) PTGS2PTGS1APPMAPTHPGD
SCHEMBL14797664 0.81 MT-CO2 (0.47) MT-CO2PTGS2PTGS1MAOBAPP
SCHEMBL7241661 0.81 ALDH1A1 (0.51) MT-CO2PTGS2PTGS1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854781-B1 DP ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2024-05-22 EP disclosed
US-20220204468-A1 DP ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2022-06-30 US disclosed
US-11319296-B2 DP antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2022-05-03 US disclosed
US-20220033371-A1 DP ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2022-02-03 US disclosed
EP-3854781-A1 DP ANTAGONIST ONO Pharmaceutical Co., Ltd. (JP) 2021-07-28 EP disclosed
CN-112739680-A DP antagonists 小野药品工业株式会社 2021-04-30 CN disclosed
EP-2760836-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
CN-103917523-A Amine-substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH 2014-07-09 CN disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
WO-2013045451-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 WO disclosed
WO-2013045451-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 WO disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 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 (4 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-20220033371-A1 DP ANTAGONIST OPRL1, CNR1, NPSR1 MT-CO2 4398/4885PTGS2 519/4885PTGS1 426/4885
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPA1, TRPV3 MT-CO2 2413/4885PTGS2 629/4885PTGS1 536/4885
US-20220204468-A1 DP ANTAGONIST OPRL1, CNR1, NPSR1 MT-CO2 4398/4885PTGS2 519/4885PTGS1 426/4885
US-11319296-B2 DP antagonist OPRL1, CNR1, NPSR1 MT-CO2 4398/4885PTGS2 519/4885PTGS1 426/4885

“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.