SCHEMBL2896485

SCHEMBL2896485

COC(=O)c1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 2/20 0.65
GAA P10253 1/20 0.65
ALOX15 P16050 1/20 0.65
HTT P42858 1/20 0.65
NHERF1 O14745 1/20 0.59
HPGD P15428 3/20 0.56
PLAU P00749 2/20 0.55
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
UCHL1 P09936 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSPD1 P10809 1/20 0.51
PTPN2 P17706 1/20 0.51

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
SCHEMBL25315174 0.88 MAPT (0.80) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL2896310 0.84 TCF4 (0.73) MAPTALDH1A1SMN1; SMN2PLAUMEN1
SCHEMBL5925553 0.82 MAPT (0.72) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL1832364 0.82 MAPT (0.72) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL33494 0.82 LOXL2 (0.66) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL15772389 0.81 MAPT (0.70) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL6977966 0.81 MAPT (0.70) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL25413790 0.81 MAPT (0.70) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL1279147 0.81 PLAU (0.72) MAPTALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL21761420 0.81 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2TSHRGAA

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-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 US disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 US disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 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-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; LTB4R, LTB4R2, CYSLTR1 MAPT 3382/4885ALDH1A1 432/4885SMN1; SMN2 4564/4885

“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.