SCHEMBL2069562

SCHEMBL2069562

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
MEP1B Q16820 1/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PGAM1 P18669 1/20 0.37

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
SCHEMBL2071500 0.94 THRB (0.49) MEP1BTHRBL3MBTL1MAPK1ALDH1A1
SCHEMBL2069932 0.87 NR1H2 (0.40) THRBL3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL2070166 0.87 THRB (0.40) MMP1MMP2MMP3MMP13THRB
SCHEMBL2069871 0.87 HTR6 (0.40) THRBALDH1A1KMT2AHTR6NR1H2
SCHEMBL2069320 0.86 THRB (0.45) MMP1MMP2MMP3MMP13THRB
SCHEMBL2069654 0.81 THRB (0.50) THRBMAPK1ALDH1A1
SCHEMBL2070663 0.81 THRB (0.40) MMP1MMP2MMP3MMP13THRB
SCHEMBL2070961 0.81 THRB (0.49) THRBALDH1A1HTR6NR1H2NR1H3
SCHEMBL2069516 0.81 THRB (0.49) THRBNR1H2NR1H3
SCHEMBL2069343 0.80 THRB (0.40) MMP1MMP2MMP3MMP13THRB

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 MMP1 3885/4885MMP2 3679/4885MMP3 3943/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 MMP1 3885/4885MMP2 3679/4885MMP3 3943/4885

“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.