SCHEMBL2896310

SCHEMBL2896310

COC(=O)c1cccc(NS(=O)(=O)c2ccc(CBr)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.73
CTNNB1 P35222 2/20 0.73
POLB P06746 2/20 0.59
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP19A1 P11511 1/20 0.53
ITGA1 P56199 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PLAU P00749 2/20 0.50
PFKFB3 Q16875 1/20 0.50
PFKFB4 Q16877 1/20 0.50
KDM1A O60341 1/20 0.50
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PLAT P00750 1/20 0.48

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
SCHEMBL16116948 0.84 TCF4 (1.00) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL31253926 0.84 TCF4 (1.00) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL14896438 0.84 TCF4 (0.80) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL2896485 0.84 MAPT (0.65) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL8369354 0.84 TCF4 (0.80) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL16116951 0.83 TCF4 (1.00) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL6981654 0.83 TCF4 (0.78) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL16116946 0.81 TCF4 (0.74) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL16119561 0.80 LMNA (0.77) TCF4CTNNB1POLBLMNASMN1; SMN2
SCHEMBL7313388 0.79 PLAU (0.77) TCF4CTNNB1POLBLMNASMN1; SMN2

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 TCF4 4515/4885CTNNB1 4000/4885POLB 3062/4885

“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.