Sugi Predict

Sugi Predict / Compounds / SCHEMBL3750014

SCHEMBL3750014

SCHEMBL3750014

Cc1ccccc1-c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.53
▸ FEN1 P39748 1/20 0.53
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ AR P10275 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ TNKS O95271 1/20 0.45
▸ TNKS2 Q9H2K2 1/20 0.45
▸ TRPA1 O75762 1/20 0.45
▸ CTSD P07339 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL14850869 0.88 ACHE (0.50) ALOX5APFEN1HTR7ARPDK2
SCHEMBL3755926 0.82 PTGS2 (0.58) ALOX5APFEN1HTR7ARPDK2
SCHEMBL5993403 0.82 ALOX5AP (0.56) ALOX5APFEN1HTR7ARPDK2
SCHEMBL21114135 0.82 ALOX5AP (0.49) ALOX5APFEN1HTR7ARPDK2
SCHEMBL19143970 0.82 ALOX5AP (0.52) ALOX5APFEN1HTR7ARPDK2
SCHEMBL12364953 0.82 ALOX5AP (0.49) ALOX5APFEN1HTR7ARPDK2
SCHEMBL12229144 0.81 ALOX5AP (0.46) ALOX5APFEN1HTR7ARPDK2
SCHEMBL30665733 0.80 PTPRC (0.57) ALOX5APFEN1PDK2TNKSTNKS2
SCHEMBL13439490 0.80 PTPRC (0.57) ALOX5APFEN1PDK2TNKSTNKS2
SCHEMBL18487982 0.80 ALOX5AP (0.47) ALOX5APFEN1AKR1C3AKR1C2HTR7

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US claimed
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 — — EP disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 — — US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 — — US disclosed
US-8003626-B2 in particular fungicidally active; use in agriculture or horticulture for controlling/preventing infestation of plants by phytopathogens; 1-methyl-3-trifluoromethyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid [2-(1,3-dimethyl-butyl)-thiophen-3-yl]-amide SYNGENTA CROP PROTECTION, INC. (US) 2011-08-23 — — US disclosed
US-8003626-B2 in particular fungicidally active; use in agriculture or horticulture for controlling/preventing infestation of plants by phytopathogens; 1-methyl-3-trifluoromethyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid [2-(1,3-dimethyl-butyl)-thiophen-3-yl]-amide SYNGENTA CROP PROTECTION, INC. (US) 2011-08-23 — — US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 — — EP disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 — — US disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 — — US disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US disclosed
WO-2007009717-A1 PYRAZOLE-4- CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 — — 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 (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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R ALOX5AP 2460/4885FEN1 4791/4885AKR1C3 3286/4885
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides CD14, FPR1, FPR2 ALOX5AP 1305/4885FEN1 1560/4885AKR1C3 1982/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 ALOX5AP 3422/4885FEN1 3454/4885AKR1C3 623/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALOX5AP 2673/4885FEN1 3760/4885AKR1C3 405/4885

“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.