SCHEMBL2177648

SCHEMBL2177648

CCOc1[c]ncc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 1/20 0.32
GRM5 P41594 1/20 0.32
NQO1 P15559 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
SCHEMBL2178741 0.80 NQO1 (0.39) NQO1
SCHEMBL2179599 0.78 PTGS2 (0.31)
SCHEMBL2178211 0.78 CHRNB2 (0.34) GRM5
SCHEMBL2179782 0.78 FGFR1 (0.31)
SCHEMBL2179984 0.77 CYP11B1 (0.36) NQO1
SCHEMBL2177455 0.76 POLB (0.33)
SCHEMBL2180095 0.76
SCHEMBL1035647 0.74 GABRG2 (0.38) S1PR1GRM5
SCHEMBL1031313 0.74 NPSR1 (0.41)
SCHEMBL2302755 0.73 NQO1 (0.38) NQO1

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 S1PR1 525/4885S1PR3 148/4885GRM5 1485/4885

“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.