SCHEMBL5541597

SCHEMBL5541597

CCCc1csc2cc(OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 4/20 0.49
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SREBF2 Q12772 2/20 0.41
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38
HTR2A P28223 2/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
ESR1 P03372 1/20 0.37
APOBEC3A P31941 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36

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 0.89 MTNR1A (0.52) MTNR1AMTNR1BMAPTALDH1A1HSD17B10
SCHEMBL5544113 0.88 MTNR1A (0.51) MTNR1AMTNR1BMAPTALDH1A1HSD17B10
SCHEMBL8587828 0.86 TAAR1 (0.53) MTNR1AMTNR1BMAPTALDH1A1HSD17B10
SCHEMBL10663900 0.83 MTNR1A (0.55) MTNR1AMTNR1BMAPTALDH1A1HSD17B10
SCHEMBL5439262 0.82 MTNR1A (0.44) MTNR1AMTNR1BMAPTALDH1A1HSD17B10
SCHEMBL6839987 0.82 CYP2A6 (0.53) MTNR1AMTNR1BMAPTALDH1A1HSD17B10
SCHEMBL5211436 0.82 PPARG (0.46) MTNR1AMTNR1BKMT2A
SCHEMBL14099695 0.78 LMNA (0.54) MTNR1AMAPTALDH1A1HSD17B10SREBF2
SCHEMBL2878482 0.77 PPARD (0.57) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL5640485 0.77 ALDH1A1 (0.54) MTNR1AMTNR1BMAPTALDH1A1HSD17B10

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 67/4885MAPT 1970/4885

“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.