SCHEMBL4887148

SCHEMBL4887148

COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3cccc(F)c3)cc1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NR1H2 P55055 1/20 0.40
GPR183 P32249 1/20 0.40
MEN1 O00255 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL6140398 0.90 KMT2A (0.48) KMT2ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL13901032 0.89 MAPT (0.44) KMT2ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3900360 0.86 ESR2 (0.47) KMT2AESR2MAPTALDH1A1SMN1; SMN2
SCHEMBL3900136 0.85 KMT2A (0.54) KMT2ANPC1ESR2ALDH1A1ABCB1
SCHEMBL30198978 0.84 NR1H2 (0.54) ESR2NR1H2MAOB
SCHEMBL29097840 0.84 NR1H2 (0.54) ESR2NR1H2MAOB
SCHEMBL30199514 0.84 NR1H2 (0.54) ESR2NR1H2MAOB
SCHEMBL3906480 0.83 NR1H2 (0.46) ESR2NR1H2MMP1MMP2MMP9
SCHEMBL3910405 0.81 ESR2 (0.49) KMT2ANPC1ESR2MAPTALDH1A1
SCHEMBL5049891 0.80 HRH3 (0.49) NPC1ESR2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US disclosed
EP-1511727-B1 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LTD (GB) 2007-02-21 EP 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-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia SIGMAR1, CBR3, CBR1 KMT2A 2397/4885NPC1 1741/4885ESR2 324/4885

“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.