SCHEMBL2462946

SCHEMBL2462946

Cc1[nH]c2ccc(O)c(F)c2c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
MAPT P10636 5/20 0.51
GAA P10253 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
AKR1C2 P52895 1/20 0.47
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
RAD52 P43351 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL12255399 0.85 EGFR (0.39) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2003508 0.82 AKR1C2 (0.53) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2462636 0.82 KDM4E (0.48) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2467565 0.79 KDM4E (0.48) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2009406 0.79 KDM4E (0.60) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11341555 0.78 KDM4E (0.50) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL4916175 0.78 KDM4E (0.50) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL16065345 0.76 PDE3B (0.38) CYP1A2CYP3A4CYP2C19HTR2AHTR2C
SCHEMBL5809432 0.75 KDM4E (0.44) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2003333 0.73 KDM4E (0.75) KDM4EMAPTGAAALDH1A1MEN1

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 6 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-8481511-B2 Pharmaceutical composition containing docetaxel-cyclodextrin inclusion complex and its preparing process Hainan Hdeton Science and Technology Co., Ltd. (CN) 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
WO-2010062221-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1N-INDOLE-3-IL) ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES АЛЛА XEM, ЛЛС (US) 2010-06-03 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 KDM4E 1072/4885MAPT 4599/4885GAA 3206/4885

“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.