SCHEMBL2069320

SCHEMBL2069320

COC(=O)C(C1CCC(=O)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
MMP2 P08253 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MMP3 P08254 2/20 0.41
ANPEP P15144 1/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2069053 0.93 THRB (0.56) THRBMMP2CYP3A4CYP2C9CYP2C19
SCHEMBL2069932 0.86 NR1H2 (0.40) THRBKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL2069871 0.86 HTR6 (0.40) THRBKMT2AALDH1A1SMN1; SMN2
SCHEMBL2069343 0.86 THRB (0.40) THRBMMP2MMP3MMP1MMP13
SCHEMBL2069562 0.86 MMP1 (0.41) THRBMMP2MMP3MMP1MMP13
SCHEMBL2070166 0.86 THRB (0.40) THRBMMP2MMP3MMP1MMP13
SCHEMBL2070201 0.82 THRB (0.40) THRBMMP2CYP3A4CYP2C9CYP2C19
SCHEMBL2070663 0.82 THRB (0.40) THRBMMP2MMP3MMP1MMP13
SCHEMBL2072094 0.81 THRB (0.53) THRBMMP2CYP3A4CYP2C9CYP2C19
SCHEMBL2069654 0.80 THRB (0.50) THRBCYP3A4CYP2C9CYP2C19ALDH1A1

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 251/4885MMP2 3679/4885CYP3A4 29/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 THRB 251/4885MMP2 3679/4885CYP3A4 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.