SCHEMBL60529

SCHEMBL60529

OBOc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NFE2L2 Q16236 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ESR2 Q92731 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ESR1 P03372 1/20 0.39
MAOB P27338 3/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PARP1 P09874 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
SCHEMBL15724520 0.87 KCNH2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL170454 0.82 NFE2L2 (0.41) PPARGPPARANFE2L2CES2CES1
SCHEMBL26179618 0.79 MRGPRX4 (0.46) ESR2MRGPRX4
SCHEMBL1689762 0.77 NFE2L2 (0.59) NFE2L2CES2CES1MAOBACHE
SCHEMBL3439551 0.77 CA12 (0.39) CES2CES1
SCHEMBL11955396 0.76 CYP3A4 (0.48) ESR2ESR1ACHE
SCHEMBL14649506 0.75 ENPP2 (0.60)
SCHEMBL28287503 0.75 NFE2L2 (0.37) PPARGPPARANFE2L2ESR2SLC6A2
SCHEMBL6204387 0.75
SCHEMBL16547240 0.74 SLC6A2 (0.39) CES2CES1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024536-B2 C-terminal HSP90 inhibitors UNIVERSITY OF KANSAS (US) 2024-07-02 US disclosed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20230271973-A1 BICYCLIC-HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS CENTESSA PHARMACEUTICALS (OREXIA) LIMITED (GB) 2023-08-31 US disclosed
WO-2021132486-A1 LAYERED BODY 日東電工株式会社 2021-07-01 WO disclosed
WO-2021132487-A1 SEALANT SHEET WITH RELEASE LINER 日東電工株式会社 2021-07-01 WO disclosed
WO-2021132485-A1 SEALING METHOD 日東電工株式会社 2021-07-01 WO disclosed
US-10030041-B2 C-terminal Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2018-01-04 US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 US disclosed
US-9732097-B2 Process for the synthesis of a phosphoinositide 3-kinase inhibitor INCYTE CORPORATION (US) 2017-08-15 US disclosed
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-09-22 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
EP-2280000-A1 COMPOUND HAVING NPY Y5 RECEPTOR ANTAGONIST ACTIVITY Shionogi&Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 US disclosed
US-20100137597-A1 SYNTHESIS Of DIETHYLPHOSPHONATE SCHERING CORPORATION 2010-06-03 US disclosed
US-7687631-B2 Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate SCHERING CORPORATION (US) 2010-03-30 US disclosed
EP-2046804-A1 SYNTHESIS OF DIETHYL{ I5\" (3 -FLUOROPHENYL) -PYRIDINE-2-YL] METHYL} PHOSPHONATE USED IN THE SYNTHESIS OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2009-04-15 EP disclosed
WO-2008005348-A1 SYNTHESIS OF DIETHYL{ I5' (3 -FLUOROPHENYL) -PYRIDINE-2-YL] METHYL} PHOSPHONATE USED IN THE SYNTHESIS OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2008-01-10 WO disclosed
US-20080004449-A1 Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate TOPROL ACQUISITION LLC 2008-01-03 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 (10 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-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 HPGD 818/4885PPARG 1027/4885PPARA 874/4885
US-20080004449-A1 Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate F2, F2R, PTAFR HPGD 2241/4885PPARG 1034/4885PPARA 378/4885
US-20110230517-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, CNR1 HPGD 1273/4885PPARG 1338/4885PPARA 1559/4885
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 HPGD 2026/4885PPARG 811/4885PPARA 930/4885
US-20100137597-A1 SYNTHESIS Of DIETHYLPHOSPHONATE F2, PTAFR, TBXA2R HPGD 1438/4885PPARG 990/4885PPARA 286/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 HPGD 3359/4885PPARG 2487/4885PPARA 3304/4885
US-10030041-B2 C-terminal Hsp90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 HPGD 1901/4885PPARG 1538/4885PPARA 3047/4885
US-12024536-B2 C-terminal HSP90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 HPGD 1901/4885PPARG 1538/4885PPARA 3047/4885
US-20230271973-A1 BICYCLIC-HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR2 HPGD 1206/4885PPARG 862/4885PPARA 2046/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HPGD 3049/4885PPARG 601/4885PPARA 821/4885

“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.