SCHEMBL2467565

SCHEMBL2467565

Cc1[nH]c2ccc(O)c(C#N)c2c1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
GAA P10253 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
AKR1C2 P52895 1/20 0.44
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HPGD P15428 3/20 0.34
GLA P06280 2/20 0.34
APEX1 P27695 1/20 0.34
PIM1 P11309 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2462946 0.79 KDM4E (0.51) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL2462636 0.78 KDM4E (0.48) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL2009406 0.76 KDM4E (0.60) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL12255229 0.72 ALDH1A1 (0.43) ALDH1A1MAPTPOLBCYP1A2CYP3A4
SCHEMBL5809432 0.72 KDM4E (0.44) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL7364628 0.71 KDM4E (0.68) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL2465340 0.70 KDM4E (0.55) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL11325544 0.69 KDM4E (0.50) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL11341555 0.69 KDM4E (0.50) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL4916175 0.69 KDM4E (0.50) KDM4EGAAALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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 KDM4E 1072/4885GAA 3206/4885ALDH1A1 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.