SCHEMBL3578337

SCHEMBL3578337

O=C1C=C(O)CN1C1=NS(=O)(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 6/20 0.46
POLB P06746 2/20 0.44
SORD Q00796 1/20 0.44
RXFP1 Q9HBX9 1/20 0.39
LDHA P00338 1/20 0.38

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
SCHEMBL20952436 0.70 TSHR (0.72) TSHRL3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8437512 0.68 TSHR (1.00) TSHRL3MBTL1RAB9ASMN1; SMN2ALDH1A1
Benzisothiazole-3Yl-Piperazine Sulfoxide SCHEMBL2967002 0.68 TSHR (0.68) TSHRL3MBTL1RAB9ASMN1; SMN2ALDH1A1
Saccharin SCHEMBL7361433 0.66 ALDH1A1 (0.53) TSHRALDH1A1POLBRXFP1
SCHEMBL27596185 0.63 ALDH1A1 (0.68) TSHRL3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29695488 0.63 ALDH1A1 (0.50) TSHRL3MBTL1ALDH1A1POLB
SCHEMBL299692 0.63 ALDH1A1 (0.50) TSHRL3MBTL1ALDH1A1POLB
SCHEMBL10469851 0.62 SMN1; SMN2 (0.67) TSHRRAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL30896637 0.62 GAA (0.65) TSHRL3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7638951 0.60 ALDH1A1 (0.51) TSHRRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674810-B2 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2010-03-09 US disclosed
US-20060252785-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-11-09 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-20060252785-A1 Heterocyclic antiviral compounds EIF2AK2, HAVCR2, POLR2E TSHR 3105/4885L3MBTL1 2580/4885RAB9A 717/4885

“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.