SCHEMBL2896288

SCHEMBL2896288

Cc1ccccc1S(=O)(=O)Nc1cccc(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.66
TP53 P04637 3/20 0.60
MCL1 Q07820 1/20 0.55
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KCNJ6 P48051 1/20 0.50
KCNJ5 P48544 1/20 0.50
KCNJ3 P48549 1/20 0.50
IDH1 O75874 2/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL2892307 0.84 SLC22A12 (0.63) SLC22A12TP53MCL1ALDH1A1TDP1
SCHEMBL2158517 0.81 SLC22A12 (0.48) SLC22A12TP53MCL1ALDH1A1TDP1
SCHEMBL3697796 0.80 MEN1 (0.60) SLC22A12TP53ALDH1A1TDP1IDH1
SCHEMBL17240373 0.80 SLC22A12 (0.52) SLC22A12MCL1
SCHEMBL11028156 0.79 PGR (0.64) SLC22A12MCL1ALDH1A1TDP1MEN1
SCHEMBL2158260 0.79 SLC22A12 (0.47) SLC22A12TP53MCL1ALDH1A1TDP1
SCHEMBL14632373 0.79 L3MBTL1 (0.61) SLC22A12MCL1TDP1MEN1KMT2A
SCHEMBL11706538 0.79 SLC22A12 (0.54) SLC22A12TP53ALDH1A1TDP1MEN1
SCHEMBL633994 0.78 ALDH1A1 (0.68) SLC22A12TP53ALDH1A1TDP1IDH1
SCHEMBL28270281 0.78 HTR6 (0.62) SLC22A12TP53ALDH1A1TDP1MEN1

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 SLC22A12 2204/4885TP53 4872/4885MCL1 3569/4885

“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.