SCHEMBL1997556

SCHEMBL1997556

COc1ccc(C)cc1S(=O)(=O)n1ccc2c3c(c(OC)cc21)OCCNC3C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 1/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CCR5 P51681 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
Trifluoroacetic Acid SCHEMBL1994705 0.93 CPT2 (0.39) TSHRMAPK1RECQLUSP2KMT2A
SCHEMBL1995069 0.87 TSHR (0.42) TSHRMAPK1RECQLUSP2KMT2A
SCHEMBL1999130 0.87 FABP4 (0.37)
SCHEMBL1995809 0.85 HTR6 (0.43)
SCHEMBL1998930 0.84 HTR6 (0.48) KMT2AL3MBTL1
SCHEMBL1996300 0.84 HTR6 (0.35) TSHRALDH1A1SMN1; SMN2
SCHEMBL1998757 0.82 HTR6 (0.41) ALDH1A1PKM
Trifluoroacetic Acid SCHEMBL1997134 0.81 FABP4 (0.38) L3MBTL1
SCHEMBL1997844 0.80 MCOLN3 (0.40) TSHRMAPK1RECQLUSP2KMT2A
Trifluoroacetic Acid SCHEMBL4566642 0.80 CPT2 (0.31) CPT2CPT1ACPT1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US claimed
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 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 (1 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A TSHR 365/4885MAPK1 2667/4885RECQL 952/4885

“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.