SCHEMBL3263174

SCHEMBL3263174

N#Cc1ccccc1S(=O)(=O)c1ccccc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
HSD11B1 P28845 1/20 0.46
CYP2D6 P10635 1/20 0.44
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
KAT6A Q92794 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SLC22A12 Q96S37 2/20 0.38
CA12 O43570 1/20 0.38
PKM P14618 1/20 0.38
RORC P51449 1/20 0.37
NR1H3 Q13133 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL30468568 0.84 ALDH1A1 (0.62) POLBLMNAALDH1A1HTTHSD11B1
SCHEMBL8514629 0.84 ALDH1A1 (0.62) POLBLMNAALDH1A1HTTHSD11B1
SCHEMBL4434908 0.84 CYP2D6 (0.56) HSD11B1CYP2D6CA12
SCHEMBL5286006 0.78 HSD11B1 (0.57) POLBLMNAALDH1A1HTTHSD11B1
SCHEMBL30496165 0.76 ALDH1A1 (0.49) LMNAALDH1A1CA1CA2
SCHEMBL483697 0.76 ALDH1A1 (0.49) LMNAALDH1A1CA1CA2
SCHEMBL24018769 0.75 CYP2D6 (0.46) POLBHSD11B1CYP2D6CA2CA12
SCHEMBL3163460 0.74 HSD11B1 (0.47) POLBLMNAALDH1A1HTTHSD11B1
Bromide SCHEMBL4736034 0.74 ALDH1A1 (0.47) LMNAALDH1A1CA1CA2
Fluoride SCHEMBL27645948 0.74 ALDH1A1 (0.47) LMNAALDH1A1CA1CA2

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
CN-101061105-B Potentiators of glutamate receptors LILLY CO ELI 2012-05-30 CN disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
CN-101061105-A Potentiators of glutamate receptors LILLY CO ELI (US) 2007-10-24 CN disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO 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-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 POLB 3575/4885LMNA 1369/4885ALDH1A1 74/4885

“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.