SCHEMBL921944

SCHEMBL921944

COc1cccc(COS(C)(=O)=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.40
KAT6A Q92794 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
IDO1 P14902 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL2207149 0.83 IDO1 (0.56) IDO1CA12CA1CA2CA14
SCHEMBL25380681 0.82 NR3C1 (0.41) IDO1CA12CA1CA2CA14
SCHEMBL30996444 0.82 NR3C1 (0.41) IDO1CA12CA1CA2CA14
SCHEMBL1229784 0.82 CA12 (0.52) CA12CA1CA2CA14KDM4E
SCHEMBL24707429 0.81 AKR1B1 (0.39) ALKBH1IDO1LMNA
SCHEMBL12093574 0.79 IDO1 (0.46) ALKBH1HTR2AHTR2CIDO1CA12
Alcohol SCHEMBL7237276 0.79 IDO1 (0.51) IDO1CA12CA1CA2CA14
SCHEMBL20096043 0.79 KAT6A (0.35) KAT6AIDO1CA2NR3C1
SCHEMBL172225 0.77 HTR2A (0.46) HTR2AHTR2CIDO1CA12CA1
SCHEMBL15728507 0.76 CYP3A4 (0.38) IDO1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 US disclosed
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100227884-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-09 US disclosed
US-20100227884-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-09 US disclosed
WO-2009157527-A1 BENZOTHIAZOLE CARBOXAMIDES AS FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-30 WO disclosed
WO-2009093637-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-30 WO disclosed
WO-2009093640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-30 WO disclosed
WO-2009051086-A1 N-BENZYL QUINOLINE-6-CARBOXAMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-23 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 (3 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ALKBH1 2395/4885KAT6A 3474/4885HTR2A 4680/4885
US-20100227884-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME NAAA, ATL3, ACSL5 ALKBH1 785/4885KAT6A 598/4885HTR2A 3427/4885
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 ALKBH1 129/4885KAT6A 679/4885HTR2A 2559/4885

“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.