Sugi Predict

Sugi Predict / Compounds / SCHEMBL4573180

SCHEMBL4573180

SCHEMBL4573180

COc1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ APP P05067 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ ALPL P05186 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL30011026 1.00 KDM4E (0.41) KDM4ETDP1CYP1A2CYP2C9CYP2C19
SCHEMBL30694806 0.92 KDM4E (0.41) KDM4ETDP1CYP1A2CYP2C9CYP2C19
SCHEMBL15968924 0.92 KDM4E (0.41) KDM4ETDP1CYP1A2CYP2C9CYP2C19
SCHEMBL4704298 0.88 MAPK1 (0.43) TDP1HRH4ALPLMAOAMAOB
SCHEMBL21807222 0.85 CA2 (0.41) KDM4ETDP1CYP1A2CYP2C9CYP2C19
SCHEMBL26548632 0.83 ALPL (0.40) TDP1HRH4ALPLMAOAMAOB
SCHEMBL25798504 0.83 ALPL (0.40) TDP1HRH4ALPLMAOAMAOB
SCHEMBL878295 0.81 KDM4E (0.40) KDM4ETDP1APPCA2TSHR
SCHEMBL29419589 0.81 CA2 (0.56) KDM4ETDP1CYP1A2CYP2C9CYP2C19
SCHEMBL20509 0.81 CA2 (0.56) KDM4ETDP1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092781-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-03-21 — — US disclosed
CN-114230552-B Trifluoromethoxy dibenzothiophene, preparation method thereof and preparation method of related intermediate 江苏广域化学有限公司 2023-11-03 — — CN disclosed
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 — — US disclosed
EP-4126840-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 — — EP disclosed
CN-115362151-A Aryl piperidines as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 — — CN disclosed
US-20220363679-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-11-17 — — US disclosed
CN-114230552-A Trifluoromethoxy dibenzothiophene, preparation method thereof and preparation method of related intermediate 江苏广域化学有限公司 2022-03-25 — — CN disclosed
EP-3954686-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS Calithera Biosciences, Inc. (US) 2022-02-16 — — EP disclosed
WO-2021191384-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 — — WO disclosed
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2021-09-23 — — US disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 — — US disclosed
US-20140194421-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2014-07-10 — — US disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 — — WO disclosed
WO-2014078645-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2014-05-22 — — WO disclosed
CN-101541747-B Biphenyl amide lactam derivatives as inhibitors of 11- beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI 2012-11-14 — — CN disclosed
CN-101541747-A Biphenyl amide lactam derivatives as inhibitors of 11- beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI (US) 2009-09-23 — — CN disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 — — US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 — — 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 (7 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-20140194421-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS GLS, GLS2, GLUL KDM4E 680/4885TDP1 1512/4885CYP1A2 1298/4885
US-20240092781-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP KDM4E 1995/4885TDP1 1168/4885CYP1A2 209/4885
US-20210292289-A1 HETEROCYCLIC GLUTAMINASE INHIBITORS GLS, GLS2, GLUL KDM4E 680/4885TDP1 1512/4885CYP1A2 1298/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL KDM4E 577/4885TDP1 1322/4885CYP1A2 1673/4885
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 1995/4885TDP1 1168/4885CYP1A2 209/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 KDM4E 3911/4885TDP1 3040/4885CYP1A2 880/4885
US-20220363679-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP KDM4E 1995/4885TDP1 1168/4885CYP1A2 209/4885

“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.