SCHEMBL202909

SCHEMBL202909

COC(=O)c1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA7 P43166 1/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 1/20 0.46
NOTUM Q6P988 1/20 0.45
DPP4 P27487 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL17215256 0.88 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL16104798 0.88 CA1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL19331703 0.82 DPP4 (0.51) CA1CA2CA12CA9CA14
SCHEMBL203083 0.82 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL15964829 0.82 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL13553870 0.80 LOXL2 (0.46) TSHRMAPTALDH1A1NOTUMLOXL2
SCHEMBL27353205 0.79 GABBR2 (0.54) MAPTRAB9AKMT2AMAPK1
SCHEMBL4408604 0.79 CA1 (0.66) CA1CA2CA12CA9CA14
SCHEMBL14487959 0.79 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL18272577 0.79 HDAC6 (0.50) CA2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
EP-4323348-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF Studiengesellschaft Kohle gGmbH (DE) 2024-02-21 EP disclosed
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 CN disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 WO disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
CN-101743230-A Arylpyrrol-2-yl cyanoethylamino compounds, process for their preparation and their use AVENTIS AGRICULTURE 2010-06-16 CN disclosed
WO-2010056999-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2010-05-20 WO disclosed
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2010-05-20 US disclosed
EP-2155699-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial Limited (US) 2010-02-24 EP disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 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 (7 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-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR CA1 2326/4885CA2 980/4885CA12 3579/4885
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 CA1 4723/4885CA2 3835/4885CA12 4445/4885
US-20100125089-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4B1, NPY4R, CYP4X1 CA1 1870/4885CA2 974/4885CA12 3045/4885
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF CYP4F3, GTF3C3, GTF3C4 CA1 4223/4885CA2 4264/4885CA12 3617/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 CA1 4723/4885CA2 3835/4885CA12 4445/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 CA1 4723/4885CA2 3835/4885CA12 4445/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS CA1 2488/4885CA2 3670/4885CA12 1723/4885

“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.