SCHEMBL2069404

SCHEMBL2069404

COC(=O)C(C1CCCC(=O)C1)S(=O)(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NAPRT Q6XQN6 1/20 0.35

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
SCHEMBL2069343 0.94 THRB (0.40) THRBALDH1A1LMNAHDAC8TSHR
SCHEMBL2069053 0.87 THRB (0.56) THRBCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL2069654 0.82 THRB (0.50) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2069516 0.81 THRB (0.49) THRBCYP3A4CYP2C9CYP2C19HDAC8
SCHEMBL2070961 0.81 THRB (0.49) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2071500 0.81 THRB (0.49) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2072094 0.80 THRB (0.53) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2069320 0.79 THRB (0.45) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2070254 0.79 THRB (0.49) THRBCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL2069547 0.77 THRB (0.50) THRBALDH1A1CYP3A4CYP2C9CYP2C19

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 251/4885ALDH1A1 3812/4885CYP3A4 29/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 THRB 251/4885ALDH1A1 3812/4885CYP3A4 29/4885

“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.