SCHEMBL2178591

SCHEMBL2178591

COc1cn[c]c(S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 2/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
PTGS1 P23219 4/20 0.32
PTGS2 P35354 3/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL2180066 0.81 CA12 (0.35) SMN1; SMN2LMNAALDH1A1KMT2AHPGD
SCHEMBL2179939 0.81 MEN1 (0.34) KMT2ARAB9AMEN1TLR9
SCHEMBL2177706 0.75
SCHEMBL2179886 0.75 ENPP2 (0.31) PTGS1PTGS2
SCHEMBL2179257 0.73 PTGS2 (0.30) PTGS2
SCHEMBL20554265 0.73
SCHEMBL2177515 0.73 PTGS2 (0.32) PTGS1PTGS2
SCHEMBL20554185 0.73 PTGS2 (0.31) PTGS2
SCHEMBL2180551 0.70
SCHEMBL2180703 0.70 PTGS2 (0.32) PTGS1PTGS2

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 SMN1; SMN2 2625/4885LMNA 1548/4885ALDH1A1 2095/4885

“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.