SCHEMBL2069871

SCHEMBL2069871

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 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
SCHEMBL2070961 0.94 THRB (0.49) HTR6ALDH1A1THRBNR1H2NR1H3
SCHEMBL2069562 0.87 MMP1 (0.41) HTR6ALDH1A1THRBNR1H2NR1H3
SCHEMBL2070166 0.87 THRB (0.40) THRBNR1H2NR1H3
SCHEMBL2069932 0.87 NR1H2 (0.40) ALDH1A1THRBNR1H2NR1H3HDAC8
SCHEMBL2069320 0.86 THRB (0.45) ALDH1A1THRBSMN1; SMN2KMT2A
SCHEMBL2070663 0.85 THRB (0.40) ALDH1A1THRBPSEN1PSEN2APH1B
SCHEMBL2069654 0.81 THRB (0.50) ALDH1A1THRBSMN1; SMN2
SCHEMBL27678857 0.81 HTR2A (0.40) HTR6ALDH1A1NR1H2NR1H3HDAC8
SCHEMBL2071500 0.81 THRB (0.49) HTR6ALDH1A1THRBSMN1; SMN2POLB
SCHEMBL2069516 0.81 THRB (0.49) THRBNR1H2NR1H3HDAC8HDAC6

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 HTR6 4160/4885ALDH1A1 3812/4885THRB 251/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 HTR6 4160/4885ALDH1A1 3812/4885THRB 251/4885

“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.