Sugi Predict

Sugi Predict / Compounds / SCHEMBL5535236

SCHEMBL5535236

SCHEMBL5535236

Cc1ccccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.44
▸ GPR3 P46089 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ AR P10275 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ SCN5A Q14524 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ ACP1 P24666 1/20 0.40
▸ SCN8A Q9UQD0 1/20 0.40
▸ GABBR2 O75899 1/20 0.40
▸ GABBR1 Q9UBS5 1/20 0.40

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
SCHEMBL17840231 0.86 GPR3 (0.50) GPR3KIF11FFAR4FFAR1SCN5A
SCHEMBL5599072 0.83 CA12 (0.44) CA12CA1CA2CA9AR
SCHEMBL16945882 0.81 FFAR4 (0.44) S1PR1GPR3PDK2FFAR4FFAR1
SCHEMBL5542629 0.81 ADORA2A (0.47) S1PR1GPR3ARPDK2
SCHEMBL16925983 0.79 GPR3 (0.45) GPR3PDK2KIF11PPARGPPARA
SCHEMBL13198824 0.79 SCN8A (0.44) SLC6A4KIF11PPARGPPARAFFAR4
SCHEMBL12148950 0.79 SCN5A (0.45) GPR3KIF11FFAR4SCN5AGABBR2
SCHEMBL28055989 0.79 GPR3 (0.51) GPR3KIF11FFAR4SCN5AGABBR2
SCHEMBL16727887 0.79 GPR3 (0.55) S1PR1GPR3KIF11FFAR4SCN5A
SCHEMBL28177887 0.79 SCN5A (0.51) GPR3KIF11PPARGPPARAFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 — — US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — 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-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
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 — — US 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
WO-2007009717-A1 PYRAZOLE-4- CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 — — WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 S1PR1 3596/4885GPR3 80/4885CA12 1998/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R S1PR1 2258/4885GPR3 138/4885CA12 2891/4885
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides CD14, FPR1, FPR2 S1PR1 807/4885GPR3 652/4885CA12 2249/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 S1PR1 3527/4885GPR3 2866/4885CA12 3711/4885

“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.