Sugi Predict

Sugi Predict / Compounds / SCHEMBL432591

SCHEMBL432591

SCHEMBL432591

FC(F)(F)c1cc([Mg]Br)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.41
▸ IDO1 P14902 2/20 0.37
▸ ADRB1 P08588 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ XPO1 O14980 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ TXNRD1 Q16881 1/20 0.30
▸ TXNRD3 Q86VQ6 1/20 0.30
▸ TXNRD2 Q9NNW7 1/20 0.30

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
SCHEMBL20184807 0.86 RXRA (0.33) CES2RXRARXRBRXRG
SCHEMBL19031190 0.84 RAPGEF4 (0.39) CES2MAPTRAPGEF4XPO1
SCHEMBL31223952 0.84 RAPGEF4 (0.38) CES2RAPGEF4TSHRALDH1A1CYP3A4
SCHEMBL538930 0.77 TSHR (0.48) CES2IDO1MAPTTSHRALDH1A1
SCHEMBL440959 0.76 CES2 (0.58) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL5459115 0.76 CES2 (0.42) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL624840 0.74 ALDH1A1 (0.43) CES2TSHRALDH1A1
SCHEMBL5599436 0.74 CES2 (0.41) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL1987884 0.74 GABRA1 (0.52) MAPTRXRARXRBRXRGTSHR
SCHEMBL5778879 0.70 CES2 (0.61) CES2IDO1MAPTITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 — — WO claimed
CN-117486912-A Process method for synthesizing sodium tetra (3, 5-bis (trifluoromethyl) phenyl) borate 大连双硼医药化工有限公司 2024-02-02 — — CN claimed
EP-1673329-B1 PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL MITENI SPA (IT) 2007-09-12 — — EP claimed
US-20070135662-A1 Process for the preparation of 3,5- bis(trifluoromethyl)benzylalcohol MITENI S.P.A. (IT) 2007-06-14 — — US claimed
EP-1673329-A1 PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL MITENI S.p.A. (IT) 2006-06-28 — — EP claimed
EP-1345878-A4 PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE MERCK & CO INC (US) 2005-12-14 — — EP claimed
WO-2005035472-A1 PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL MITENI S.P.A. (IT) 2005-04-21 — — WO claimed
US-20040019243-A1 1,3-Bis(trifluoromethyl)benzene derivatives SYNPROTEC LIMITED (GB) 2004-01-29 — — US claimed
EP-1345878-A1 PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE Merck & Co., Inc. (US) 2003-09-24 — — EP claimed
WO-2002050009-A1 PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE MERCK & CO., INC. (US) 2002-06-27 — — WO claimed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 — — WO disclosed
WO-2025032536-A1 1,3-DIAZA-4-OXA-[3.3.1]-BICYCLIC DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES, PARTICULARLY FOR THE TREATMENT OF OBESITY, DIABETES AND/OR NEURODEGENERATIVE DISEASES UNIVERSITÀ DI PISA (IT) 2025-02-13 — — WO disclosed
CN-118406091-A Catalyst for synthesizing methanol by coupling carbon capture and hydrogenation, synthesis and application thereof 中国地质科学院 2024-07-30 — — CN disclosed
CN-118206440-A Efficient and convenient preparation method of diaryl ketone 中南民族大学 2024-06-18 — — CN disclosed
US-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-16 — — US disclosed
US-5481006-A PREPARATION OF INTERMEDIATES FOR PHARMACEUTICALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-02 — — US disclosed
US-5475146-A Reacting vinyl compound with carbon monoxide and hydrogen in presence of catalyst containing cobalt, rhodium, platinum and/or iridium and chiral carbohydrate phosphorus ligand substituted with electron withdrawing groups E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-12 — — US disclosed
WO-1995018787-A1 SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-13 — — WO disclosed
WO-1995006627-A1 ENANTIOSELECTIVE HYDROFORMYLATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-09 — — WO disclosed
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 — — EP 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 (1 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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 CES2 1071/4885IDO1 2084/4885ADRB1 835/4885

“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.