SCHEMBL3157902

SCHEMBL3157902

N#Cc1cccnc1Sc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APEX1 P27695 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 1/20 0.40
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30422513 0.83 SLC22A12 (0.50) SLC22A12CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL29269803 0.83 SLC22A12 (0.50) SLC22A12CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL3164189 0.77 ALDH1A1 (0.41) SLC22A12CYP1A2CYP2C9HPGDPARP1
SCHEMBL12923391 0.76 SLC22A12 (0.53) SLC22A12CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL30422570 0.75 SLC22A12 (0.67) SLC22A12CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL29269636 0.75 SLC22A12 (0.67) SLC22A12CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL3166763 0.74 KDM4C (0.48) SLC22A12CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL2406839 0.73 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL31383422 0.73 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL1002444 0.72 ALDH1A1 (0.54) SLC22A12CYP1A2CYP2C9HPGDHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SLC22A12 1054/4885CYP1A2 183/4885CYP2C9 881/4885

“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.