SCHEMBL2180469

SCHEMBL2180469

CCOc1[c]ncc(S(C)(=O)=O)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.32
PTGS2 P35354 6/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA7 P43166 1/20 0.32
PTGS1 P23219 1/20 0.30
CA14 Q9ULX7 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2177432 0.81 SMN1; SMN2 (0.37) PTGS2PTGS1LMNA
SCHEMBL2178026 0.75 NR1H2 (0.35) PTGS2
SCHEMBL2179380 0.74 PTGS1 (0.31) PTGS2PTGS1
SCHEMBL2178741 0.73 NQO1 (0.39) ALDH1A1TP53MAPT
SCHEMBL2177648 0.73 S1PR1 (0.32)
SCHEMBL2178211 0.72 CHRNB2 (0.34) ALDH1A1POLB
SCHEMBL2179782 0.72 FGFR1 (0.31)
SCHEMBL2179599 0.72 PTGS2 (0.31) PTGS2
SCHEMBL2179000 0.71 PIK3CA (0.33) PTGS2PTGS1
SCHEMBL2179886 0.71 ENPP2 (0.31) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US 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 (1 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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 LOX 396/4885PTGS2 3627/4885CA12 1883/4885

“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.