Sugi Predict

Sugi Predict / Compounds / SCHEMBL514499

SCHEMBL514499

SCHEMBL514499

[CH2]Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ GPR3 P46089 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 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
SCHEMBL2091481 0.93 KIF11 (0.49) MAPTEPHX2KIF11NISCHNOTUM
SCHEMBL254957 0.86 MAPT (0.56) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL97453 0.79 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL28780452 0.78 EPHX2 (0.50) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL1526051 0.77 GPR3 (0.42) GPR3KIF11PIM1PIM2
SCHEMBL255560 0.76 GPR3 (0.52) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL13863723 0.76 MAPT (0.48) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL513287 0.75 ALDH1A1 (0.45) MAPTEPHX2ALDH1A1TSHRSMN1; SMN2
SCHEMBL221511 0.74 MAPT (0.52) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL5073 0.74 TDP1 (0.50) MAPTEPHX2GPR3L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450303-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 — — US claimed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 — — US claimed
EP-2421860-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP claimed
EP-2421856-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP claimed
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 — — US claimed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
EP-2252595-A1 OXIM DERIVATIVES AS HSP90 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-11-24 — — EP claimed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — WO claimed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — WO claimed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 — — US claimed
WO-2009097578-A1 OXIM DERIVATIVES AS HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-06 — — WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 — — WO disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 — — WO disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 — — EP disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 — — EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 — — WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 — — WO disclosed
CN-1251099-A Thiazole benzenesulfonamides as beta 3 agoniste for treatment of diabetes and obesity MERCK & CO INC (US) 2000-04-19 — — CN 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-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 MAPT 1094/4885EPHX2 3111/4885GPR3 4734/4885
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAPT 1855/4885EPHX2 2795/4885GPR3 1966/4885
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MAPT 4519/4885EPHX2 647/4885GPR3 2040/4885
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MAPT 4519/4885EPHX2 647/4885GPR3 2040/4885

“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.