SCHEMBL1997934

SCHEMBL1997934

COc1cc2c(ccn2S(=O)(=O)c2ccc(Cl)cc2Cl)c2c1OCCN(C(=O)OC(C)(C)C)C2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CPT1A P50416 7/20 0.34
CPT2 P23786 6/20 0.34
CPT1B Q92523 5/20 0.34
HTR6 P50406 5/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 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
SCHEMBL1999848 0.92 HTR6 (0.39) HTR6CYP3A4LMNATSHRSUV39H2
SCHEMBL1997745 0.86 TSHR (0.39) ALDH1A1CPT1ACPT2CPT1BHTT
SCHEMBL1998511 0.86 FABP4 (0.37) HTR6
SCHEMBL1997467 0.86 ALDH1A1 (0.38) ALDH1A1HTR6CYP2C19HTTMEN1
SCHEMBL1995975 0.84 HTR6 (0.37) ALDH1A1HTR6POLB
SCHEMBL1996300 0.79 HTR6 (0.35) ALDH1A1HTR6TSHRKDM4EPOLB
Trifluoroacetic Acid SCHEMBL1998592 0.78 CPT1A (0.33) CPT1ACPT2CPT1BHTR6CYP3A4
SCHEMBL1995411 0.77 MCOLN3 (0.37) ALDH1A1HTR6CYP3A4CYP2C19MAPT
SCHEMBL1998005 0.75 TSHR (0.39) ALDH1A1CPT1ACPT2CPT1BHTT
Trifluoroacetic Acid SCHEMBL4566642 0.73 CPT2 (0.31) CPT1ACPT2CPT1B

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 ALDH1A1 691/4885CPT1A 484/4885CPT2 1489/4885

“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.