SCHEMBL2070166

SCHEMBL2070166

COC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP13 P45452 1/20 0.35
ATM Q13315 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CTSL P07711 3/20 0.33
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
CTSC P53634 2/20 0.33
FKBP1A P62942 1/20 0.33
HTR1B P28222 1/20 0.33
GHSR Q92847 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33

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
SCHEMBL2069562 0.87 MMP1 (0.41) THRBNR1H2NR1H3MMP1MMP2
SCHEMBL2069871 0.87 HTR6 (0.40) THRBNR1H2NR1H3
SCHEMBL2069932 0.87 NR1H2 (0.40) THRBNR1H2NR1H3
SCHEMBL2069320 0.86 THRB (0.45) THRBMMP1MMP2MMP3MMP13
SCHEMBL2069654 0.81 THRB (0.50) THRBFKBP1A
SCHEMBL2070663 0.81 THRB (0.40) THRBMMP1MMP2MMP3MMP13
SCHEMBL27658602 0.81 CTSL (0.34) NR1H2NR1H3MMP1MMP2MMP3
SCHEMBL2071500 0.81 THRB (0.49) THRBHCRTR1HCRTR2
SCHEMBL2070961 0.81 THRB (0.49) THRBNR1H2NR1H3
SCHEMBL2069516 0.81 THRB (0.49) THRBNR1H2NR1H3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906546-B2 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-15 US disclosed
US-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES DEHMLOW HENRIETTA 2010-08-26 US disclosed
EP-1732892-B1 TETRAHYDROCARBAZOLES AND DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-09-17 EP disclosed
EP-1732892-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092856-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215577-A1 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. 2005-09-29 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 (2 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-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES NR1H3, NR1H2, NR1H4 THRB 251/4885NR1H2 2/4885NR1H3 1/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 THRB 251/4885NR1H2 2/4885NR1H3 1/4885

“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.