SCHEMBL8223455

SCHEMBL8223455

CCc1cc(Cl)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ MARS1 P56192 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 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
SCHEMBL11258820 0.84 ALDH1A1 (0.53) PTGS2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL88823 0.84 ALDH1A1 (0.61) PTGS2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL14288599 0.83 PTGS2 (0.47) PTGS2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL586588 0.83 MARS1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3086949 0.81 GRIN2D (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL586319 0.81 DAO (0.43) PTGS2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL3933664 0.81 MARS1 (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL603252 0.81 ALDH1A1 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3939805 0.81 GRIN2D (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12178225 0.80 FFAR4 (0.40) PTGS2ALDH1A1GRIN2DGRIN3BGRIN1

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
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 — — US disclosed
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2022-12-06 — — US disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 — — WO disclosed
US-11136291-B2 Antifungal compounds and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-05 — — US disclosed
US-20210147351-A9 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-20 — — US disclosed
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2021-01-07 — — US disclosed
US-20200140381-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-07 — — US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — US disclosed
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-07-02 — — US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 — — US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
WO-2007145569-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 — — WO disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 — — US disclosed
WO-2007145570-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 — — WO disclosed
WO-2007145569-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 — — 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 (11 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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 PTGS2 3397/4885ALDH1A1 2961/4885GRIN2D 240/4885
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B PTGS2 1008/4885ALDH1A1 612/4885GRIN2D 4613/4885
US-20210147351-A9 ANTIFUNGAL COMPOUNDS AND USES THEREOF ERG28, DPM1, CYP51A1 PTGS2 1830/4885ALDH1A1 1944/4885GRIN2D 4102/4885
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof RORC, RORB, RORA PTGS2 338/4885ALDH1A1 484/4885GRIN2D 1798/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 PTGS2 388/4885ALDH1A1 2096/4885GRIN2D 364/4885
US-20200140381-A1 ANTIFUNGAL COMPOUNDS AND USES THEREOF ERG28, DPM1, CYP51A1 PTGS2 1830/4885ALDH1A1 1944/4885GRIN2D 4102/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PTGS2 984/4885ALDH1A1 344/4885GRIN2D 326/4885
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B PTGS2 1008/4885ALDH1A1 612/4885GRIN2D 4613/4885
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B PTGS2 1008/4885ALDH1A1 612/4885GRIN2D 4613/4885
US-11136291-B2 Antifungal compounds and uses thereof ERG28, DPM1, CYP51A1 PTGS2 1830/4885ALDH1A1 1944/4885GRIN2D 4102/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PTGS2 1306/4885ALDH1A1 312/4885GRIN2D 500/4885

“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.

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