SCHEMBL5544113

SCHEMBL5544113

CCCCCCc1csc2cc(OC)ccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
MTNR1B P49286 4/20 0.45
GHSR Q92847 1/20 0.43
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3A P31941 1/20 0.39
ALOX5 P09917 3/20 0.38
PTGS2 P35354 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CNR2 P34972 1/20 0.38
GPR84 Q9NQS5 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
SCHEMBL10470119 0.99 MTNR1A (0.52) MTNR1AMTNR1BGHSRGPR35ALDH1A1
SCHEMBL5541597 0.88 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1MAPTHSD17B10
SCHEMBL8587828 0.81 TAAR1 (0.53) MTNR1AMTNR1BALDH1A1MAPTHSD17B10
SCHEMBL1253645 0.80 GPR35 (0.51) MTNR1AGPR35MAPTHTR2AMEN1
SCHEMBL1253768 0.80 GPR35 (0.51) MTNR1AGPR35MAPTHTR2AMEN1
SCHEMBL5547495 0.79 ALOX5 (0.55) GPR35ALDH1A1MAPTHSD17B10MEN1
SCHEMBL1548128 0.79 GPR35 (0.44) MTNR1AGPR35MAPTMEN1KMT2A
SCHEMBL10663900 0.78 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1MAPTHSD17B10
SCHEMBL27610613 0.78 CYP2A6 (0.44) MTNR1AGPR35MAPTMEN1KMT2A
SCHEMBL5439262 0.77 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1MAPTHSD17B10

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 MTNR1A 26/4885MTNR1B 67/4885GHSR 440/4885

“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.