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SCHEMBL2070201

SCHEMBL2070201

COC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ ELOVL6 Q9H5J4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ OPRK1 P41145 2/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL2069320 0.82 THRB (0.45) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2069343 0.79 THRB (0.40) THRBALDH1A1NR1H2NR1H3ELOVL6
SCHEMBL2069053 0.75 THRB (0.56) THRBCYP3A4CYP2C9CYP2C19MMP1
SCHEMBL2070166 0.74 THRB (0.40) THRBNR1H2NR1H3MMP1MMP2
SCHEMBL2069562 0.74 MMP1 (0.41) THRBALDH1A1NPSR1NR1H2NR1H3
SCHEMBL2069932 0.74 NR1H2 (0.40) THRBALDH1A1NR1H2NR1H3MEN1
SCHEMBL2069871 0.74 HTR6 (0.40) THRBALDH1A1NR1H2NR1H3KMT2A
SCHEMBL2070663 0.73 THRB (0.40) THRBALDH1A1MMP1MMP2MMP3
SCHEMBL2070258 0.73 THRB (0.52) THRBALDH1A1NR1H2NR1H3CYP3A4
SCHEMBL2069404 0.73 THRB (0.49) THRBALDH1A1NR1H2NR1H3CYP3A4

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 3812/4885NPSR1 1980/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 THRB 251/4885ALDH1A1 3812/4885NPSR1 1980/4885

“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.