SCHEMBL2896487

SCHEMBL2896487

COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
POLB P06746 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
CYP2C9 P11712 2/20 0.52
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
GRK2 P25098 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
NOTUM Q6P988 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
SCHEMBL25412945 0.86 ALDH1A1 (0.54) ALDH1A1POLBCYP2C9LMNAL3MBTL1
SCHEMBL6970988 0.86 FFAR1 (0.57) ALDH1A1POLBCYP2C9LMNAL3MBTL1
SCHEMBL5324436 0.85 L3MBTL1 (0.62) ALDH1A1POLBLMNAL3MBTL1MEN1
SCHEMBL2896312 0.84 CYP2C9 (0.54) ALDH1A1POLBSIRT2CYP2C9LMNA
SCHEMBL8273576 0.82 POLB (0.68) ALDH1A1POLBCYP2C9LMNAL3MBTL1
SCHEMBL7267942 0.79 ALDH1A1 (0.61) ALDH1A1SIRT2LMNAL3MBTL1MAPT
SCHEMBL4408660 0.78 NOTUM (0.54) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL65856 0.78 SMN1; SMN2 (0.64) ALDH1A1POLBCYP2C9LMNAL3MBTL1
SCHEMBL7623 0.78 CA1 (0.64) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL25412810 0.77 MAPT (0.63) ALDH1A1POLBCYP2C9LMNAMEN1

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 3 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
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

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 ALDH1A1 432/4885POLB 3062/4885SIRT2 1360/4885

“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.