SCHEMBL6744989

SCHEMBL6744989

CCOC(=O)COc1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.59
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABCB1 P08183 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43

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
SCHEMBL18301079 0.89 NLRP3 (0.52) NLRP3GAANPSR1SMN1; SMN2KDM4E
SCHEMBL16792371 0.84 NLRP3 (0.48) NLRP3GAANPSR1SMN1; SMN2KDM4E
SCHEMBL4832334 0.82 SMN1; SMN2 (0.43) NLRP3SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL2058956 0.82 NLRP3 (0.57) NLRP3GAANPSR1SMN1; SMN2KDM4E
SCHEMBL18301081 0.82 ALDH1A1 (0.45) NLRP3GAANPSR1SMN1; SMN2KDM4E
SCHEMBL257483 0.81 USP2 (0.58) NLRP3NPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4447221 0.81 NLRP3 (0.48) NLRP3GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL24756033 0.81 NLRP3 (0.43) NLRP3GAANPSR1SMN1; SMN2KDM4E
SCHEMBL14252839 0.81 CA12 (0.55) NLRP3GAANPSR1SMN1; SMN2KDM4E
SCHEMBL18301092 0.80 NLRP3 (0.52) NLRP3GAANPSR1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200384134-A1 IMAGING METHOD OF AMPA RECEPTORS IN BRAIN OF PRIMATE ORGANISM, PROGRAM, DIAGNOSTIC AGENT, COMPANION DIAGNOSTIC AGENT, DRUG, SCREENING METHOD, INPUT TERMINAL, SERVER AND SYSTEM PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2020-12-10 US disclosed
US-20200384134-A1 IMAGING METHOD OF AMPA RECEPTORS IN BRAIN OF PRIMATE ORGANISM, PROGRAM, DIAGNOSTIC AGENT, COMPANION DIAGNOSTIC AGENT, DRUG, SCREENING METHOD, INPUT TERMINAL, SERVER AND SYSTEM PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2020-12-10 US disclosed
EP-3321252-B1 NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR PUBLIC UNIV CORP YOKOHAMA CITY UNIV (JP) 2020-10-21 EP disclosed
CN-107922328-B Novel compounds that specifically bind to AMPA receptors 公立大学法人横滨市立大学 2020-05-19 CN disclosed
EP-3569255-A1 IMAGING METHOD OF AMPA RECEPTORS IN BRAIN OF PRIMATE ORGANISM, PROGRAM, DIAGNOSTIC AGENT, COMPANION DIAGNOSTIC AGENT, DRUG, SCREENING METHOD, INPUT TERMINAL, SERVER AND SYSTEM Public University Corporation Yokohama City University (JP) 2019-11-20 EP disclosed
US-10335503-B2 Compound that specifically binds to AMPA receptor PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2019-07-02 US disclosed
US-10335503-B2 Compound that specifically binds to AMPA receptor PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2019-07-02 US disclosed
US-20180200391-A1 NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2018-07-19 US disclosed
US-20180200391-A1 NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2018-07-19 US disclosed
US-20180200391-A1 NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2018-07-19 US disclosed
EP-3321252-A1 NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR Public University Corporation Yokohama City University (JP) 2018-05-16 EP disclosed
WO-2017006931-A1 NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR 公立大学法人横浜市立大学 2017-01-12 WO disclosed
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 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 (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-20180200391-A1 NOVEL COMPOUND THAT SPECIFICALLY BINDS TO AMPA RECEPTOR GRM3, GRM1, GRIN3A NLRP3 2173/4885GAA 2607/4885NPSR1 93/4885
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC NLRP3 3475/4885GAA 22/4885NPSR1 3625/4885
US-10335503-B2 Compound that specifically binds to AMPA receptor GRM3, GRIN3A, GRM1 NLRP3 2012/4885GAA 2520/4885NPSR1 91/4885
US-20200384134-A1 IMAGING METHOD OF AMPA RECEPTORS IN BRAIN OF PRIMATE ORGANISM, PROGRAM, DIAGNOSTIC AGENT, COMPANION DIAGNOSTIC AGENT, DRUG, SCREENING METHOD, INPUT TERMINAL, SERVER AND SYSTEM SLC1A2, SLC1A1, SLC1A3 NLRP3 2649/4885GAA 3722/4885NPSR1 295/4885

“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.