SCHEMBL5547495

SCHEMBL5547495

CCCCCCc1csc2cc(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.55
CYP3A4 P08684 3/20 0.55
TYR P14679 3/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GPR35 Q9HC97 1/20 0.47
PTGS2 P35354 6/20 0.45
ALDH1A1 P00352 3/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45

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
SCHEMBL5549149 0.87 ESR1 (0.47) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL1253768 0.82 GPR35 (0.51) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL1253645 0.82 GPR35 (0.51) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL1548128 0.82 GPR35 (0.44) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL27610613 0.80 CYP2A6 (0.44) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL5544113 0.79 MTNR1A (0.51) ALOX5MAPTMEN1KMT2AGPR35
SCHEMBL12278324 0.78 GPR35 (0.43) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL12277870 0.78 GPR35 (0.43) ALOX5CYP3A4TYRTP53MAPT
SCHEMBL10470119 0.78 MTNR1A (0.52) ALOX5MAPTMEN1KMT2AGPR35
SCHEMBL9347766 0.78 CYP2A6 (0.55) TP53MAPTGPR35ALDH1A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021492-A1 e.g. sulfamic acid, 1,2,3,4-tetrahydro-dibenzothiophene-7-yl-1,1-dioxide ester; estrogen-dependent diseases LABORATOIRE THERAMEX (MC) 2007-01-25 US disclosed
EP-1644350-A1 SULFAMATE BENZOTHIOPHENE DERIVATIVES AS STEROID SULFATASE INHIBITORS LABORATOIRE THERAMEX (MC) 2006-04-12 EP disclosed
WO-2004101545-A1 SULFAMATE BENZOTHIOPHENE DERIVATIVES AS STEROID SULFATASE INHIBITORS LABORATOIRE THERAMEX (MC) 2004-11-25 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 (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-20070021492-A1 e.g. sulfamic acid, 1,2,3,4-tetrahydro-dibenzothiophene-7-yl-1,1-dioxide ester; estrogen-dependent diseases SULT1E1, SULT1A1, SULT2A1 ALOX5 312/4885CYP3A4 529/4885TYR 1231/4885

“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.