SCHEMBL2467334

SCHEMBL2467334

O=C(O)Cc1cn(C(=O)O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.54
PLK1 P53350 5/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
MCL1 Q07820 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
OXER1 Q8TDS5 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
KDM4E B2RXH2 1/20 0.44
AKR1B1 P15121 1/20 0.44
LCK P06239 1/20 0.43
PRKACA P17612 1/20 0.43
CSNK2A2 P19784 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43

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
SCHEMBL12479702 0.87 CDC25A (0.51) CDC25APLK1ALDH1A1LMNATDP1
SCHEMBL31432746 0.87 CDC25A (0.55) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL10442568 0.83 OXER1 (0.56) PLK1MCL1OXER1KDM4E
SCHEMBL12368671 0.83 KMT2A (0.58) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL5814849 0.83 ALDH1A1 (0.44) CDC25APLK1ALDH1A1L3MBTL1OXER1
SCHEMBL23318400 0.82 CDC25A (0.50) CDC25APLK1ALDH1A1LMNATDP1
SCHEMBL7618314 0.81 CDC25A (0.55) CDC25APLK1ALDH1A1LMNATDP1
SCHEMBL1226938 0.81 L3MBTL1 (0.71) CDC25AALDH1A1LMNATDP1L3MBTL1
SCHEMBL5742862 0.80 OXER1 (0.41) CDC25AALDH1A1L3MBTL1OXER1AKR1C3
SCHEMBL5304010 0.80 HTR2A (0.57) ALDH1A1OXER1

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-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 US claimed
US-8481587-B2 Substituted 2-(5-hydroxy-2-methyl-1H-indole-3-yl)acetic acids and ethers thereof and the use of same to treat viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-07-09 US disclosed
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 US disclosed
EP-1098895-B1 METHOD FOR PREPARING LINTITRIPT POTASSIUM SALT SANOFI SYNTHELABO (FR) 2002-06-05 EP disclosed
US-6365748-B1 BY TREATING 2-((4-(2-CHLOROPHENYL)-2-THIAZOLYL)CARBAMOYL) INDOLE-1-ACETIC ACID OR ITS ESTERS WITH POTASSIUM CARBONATE IN A TWO PHASE SOLVENT SYSTEM,OF A MIXTURE OF WATER AND A SLIGHTLY IMMISCIBIBLE SOLVENT; INJECTIBLE CHOLECYSTOKININ SANDOFI-SYNTHELABO (FR) 2002-04-02 US disclosed
EP-1098895-A1 METHOD FOR PREPARING LINTITRIPT POTASSIUM SALT SANOFI-SYNTHELABO (FR) 2001-05-16 EP disclosed
WO-2000005233-A1 METHOD FOR PREPARING LINTITRIPT POTASSIUM SALT SANOFI-SYNTHELABO (FR) 2000-02-03 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-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES IDO1, TPH1, FOXM1 CDC25A 691/4885PLK1 4604/4885ALDH1A1 104/4885

“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.