Fluoride

Fluoride

SCHEMBL1334652

Cc1cccc(C)c1SC(C)(C)C.F.F.F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
SCN4A P35499 4/20 0.37
TRPA1 O75762 2/20 0.37
ATM Q13315 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TSHR P16473 3/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SLC6A4 P31645 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CD44 P16070 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL3231058 0.97 CYP2A6 (0.39) CYP2A6CYP1A2SCN4ATRPA1ATM
SCHEMBL16707482 0.75 SMN1; SMN2 (0.38) CYP2A6CYP1A2SCN4ATRPA1ATM
SCHEMBL30571175 0.73 TXN (0.36) CYP2A6CYP1A2SCN4ATRPA1ATM
SCHEMBL16260527 0.72 RAPGEF4 (0.36) CYP2A6CYP1A2ALDH1A1CA2SMN1; SMN2
SCHEMBL13494352 0.70 ACHE (0.35) ACHESLC6A4
SCHEMBL14629628 0.70 POLB (0.46) ATMGABRA1GABRB2TSHRALDH1A1
SCHEMBL10351674 0.70 CYP1A2 (0.38) CYP2A6CYP1A2TSHRALDH1A1SLC6A4
SCHEMBL7930508 0.70 ACHE (0.43) CYP2A6CYP1A2TRPA1ATMGABRA1
SCHEMBL19860980 0.70 CA2 (0.48) GABRA1GABRB2TSHRALDH1A1CA2
SCHEMBL29044217 0.70 ESR1 (0.39) TRPA1ATMTSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522682-B2 Synthesis of methyl 2-fluoroacrylate VIFOR (INTERNATIONAL) LTD. (CH) 2026-01-13 US claimed
EP-4229033-A1 PROCESSES OF PREPARING 3-FLUORO-5-(((1S,2AR)-1,3,3,4,4-PENTAFLUORO-2A-HYDROXY-2,2A,3,4-TETRAHYDRO-1H-CYCLOPENTA[CD]INDEN-7-YL)OXY)-BENZONITRILE Nikang Therapeutics, Inc. (US) 2023-08-23 EP claimed
US-20230202970-A1 PROCESS OF PREPARING 3-FLUORO-5(((1R,2AR)-3,3,4,4-TETRAFLUORO-1,2A-DIHYDROXY-2,2A,3,4-TETRAHYDRO-1H-CYCLOPENTA[CD]INDEN-7-YL)-OXY)BENZONITRILE NIKANG THERAPEUTIC INC (US) 2023-06-29 US claimed
US-20230126376-A1 SYNTHESIS OF METHYL 2-FLUOROACRYLATE VIFOR (INTERNATIONAL) LTD. (CH) 2023-04-27 US claimed
US-11634382-B2 Process of preparing 3-fluoro-5(((1R,2aR)-3,3,4,4-tetrafluoro-1,2a-dihydroxy-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)-oxy)benzonitrile NIKANG THERAPEUTICS, INC. (US) 2023-04-25 US claimed
WO-2023050975-A1 α-FLUOROACYL PIPERAZINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 云白药征武科技(上海)有限公司 2023-04-06 WO claimed
EP-4126807-A1 SYNTHESIS OF METHYL 2-FLUOROACRYLATE Vifor (International) Ltd. (CH) 2023-02-08 EP claimed
WO-2022235536-A1 ATOMIC LAYER DEPOSITION OF METAL FLUORIDE FILMS APPLIED MATERIALS, INC. (US) 2022-11-10 WO claimed
US-20220351960-A1 Atomic Layer Deposition Of Metal Fluoride Films APPLIED MATERIALS, INC. (US) 2022-11-03 US claimed
CN-109535025-B Preparation method of Evonib intermediate 3, 3-difluorocyclobutylamine hydrochloride 尚科生物医药(上海)有限公司 2022-09-09 CN claimed
US-20170283960-A1 METHOD OF DISCOVERING FLUORO-CONTAINING COMPOUNDS SHANXI CHEMICAL RESEARCH INSTITUTE CO., LTD. (CN) 2017-10-05 US claimed
EP-2812311-B1 PROCESSES FOR ISOLATING FLUORINATED PRODUCTS UBE INDUSTRIES (JP) 2016-04-20 EP claimed
US-8937204-B1 Processes for isolating fluorinated products UBE INDUSTRIES, LTD. (JP) 2015-01-20 US claimed
EP-2812311-A1 PROCESSES FOR ISOLATING FLUORINATED PRODUCTS UBE Industries, Ltd. (JP) 2014-12-17 EP claimed
US-20140046086-A1 PROCESS FOR THE PREPARATION OF TAFLUPROST AND INTERMEDIATES THEREOF SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2014-02-13 US claimed
WO-2013118915-A1 PROCESSES FOR ISOLATING FLUORINATED PRODUCTS UBE INDUSTRIES, LTD. (JP) 2013-08-15 WO claimed
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US claimed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US claimed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 WO claimed
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives IM&T RESEARCH, INC. (US) 2010-07-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20230126376-A1 SYNTHESIS OF METHYL 2-FLUOROACRYLATE PFAS, FOLR1, MFAP1 CYP2A6 2542/4885CYP1A2 2360/4885SCN4A 2378/4885
US-11634382-B2 Process of preparing 3-fluoro-5(((1R,2aR)-3,3,4,4-tetrafluoro-1,2a-dihydroxy-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)-oxy)benzonitrile CYP4B1, CYP1B1, CYP3A4 CYP2A6 109/4885CYP1A2 18/4885SCN4A 308/4885
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS CYP2A6 3084/4885CYP1A2 2348/4885SCN4A 1354/4885
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives QDPR, FDPS, DPYD CYP2A6 989/4885CYP1A2 584/4885SCN4A 2471/4885
US-20230202970-A1 PROCESS OF PREPARING 3-FLUORO-5(((1R,2AR)-3,3,4,4-TETRAFLUORO-1,2A-DIHYDROXY-2,2A,3,4-TETRAHYDRO-1H-CYCLOPENTA[CD]INDEN-7-YL)-OXY)BENZONITRILE CYP4B1, CYP1B1, CYP3A4 CYP2A6 109/4885CYP1A2 18/4885SCN4A 308/4885
US-20140046086-A1 PROCESS FOR THE PREPARATION OF TAFLUPROST AND INTERMEDIATES THEREOF PTGIS, PTGES, PTGES3 CYP2A6 50/4885CYP1A2 68/4885SCN4A 4553/4885

“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.