SCHEMBL3077889

SCHEMBL3077889

COc1cccc(C(C)S(=O)(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
ACHE P22303 3/20 0.43
KAT6A Q92794 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LPAR1 Q92633 1/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
HTR6 P50406 1/20 0.37
ERN1 O75460 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL777183 0.80 CES2 (0.45) CA1CA2LMNACYP3A4HPGD
SCHEMBL16794998 0.78 LMNA (0.41) CA1CA2POLBHTTNPSR1
SCHEMBL84457 0.77 LPAR1 (0.44) CA1CA2ACHEPOLBHTT
SCHEMBL19997514 0.74 CA1 (0.39) CA1CA2ACHEPOLBHTT
SCHEMBL16961396 0.74 CA1 (0.39) CA1CA2ACHEPOLBHTT
SCHEMBL23343773 0.74 CA1 (0.39) CA1CA2ACHEPOLBHTT
SCHEMBL3698795 0.74 ALDH1A1 (0.42) CA1CA2ACHECA12CA7
SCHEMBL20738479 0.73 POLB (0.44) CA1CA2KAT6APOLBHTT
SCHEMBL22827469 0.73 KRAS (0.44) CA1CA2ACHEPOLBHTT
Hydrochloric Acid SCHEMBL22836784 0.73 ALDH1A1 (0.43) CA1CA2ACHECA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 US disclosed
US-20100227884-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-09 US disclosed
EP-2215062-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009069792-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 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 (2 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-20100227884-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME NAAA, ATL3, ACSL5 CA1 2423/4885CA2 3383/4885ACHE 490/4885
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 CA1 1986/4885CA2 2279/4885ACHE 1280/4885

“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.