SCHEMBL1997745

SCHEMBL1997745

COc1ccc(C)cc1S(=O)(=O)n1ccc2c3c(c(OC)cc21)OCCN(C(=O)OC(C)(C)C)C3C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPK1 P28482 3/20 0.39
USP2 O75604 2/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.39
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
CPT1B Q92523 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
STS P08842 1/20 0.34
MEN1 O00255 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
SCHEMBL1998005 0.89 TSHR (0.39) TSHRMAPK1USP2KMT2AGAA
SCHEMBL1998511 0.89 FABP4 (0.37)
SCHEMBL1999848 0.87 HTR6 (0.39) TSHRHSD17B10LMNASTS
SCHEMBL1997934 0.86 ALDH1A1 (0.36) TSHRKMT2ACPT2CPT1ACPT1B
Trifluoroacetic Acid SCHEMBL4566642 0.85 CPT2 (0.31) CPT2CPT1ACPT1B
SCHEMBL1995975 0.85 HTR6 (0.37) ALDH1A1
SCHEMBL1995411 0.82 MCOLN3 (0.37) TSHRMAPK1USP2KMT2AGAA
SCHEMBL1997556 0.78 TSHR (0.42) TSHRMAPK1USP2KMT2AGAA
Trifluoroacetic Acid SCHEMBL1994705 0.77 CPT2 (0.39) TSHRMAPK1USP2KMT2AGAA
SCHEMBL4418093 0.76 FABP4 (0.40) TSHRCPT2CPT1ACPT1BHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO 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 2667/4885USP2 4643/4885

“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.