SCHEMBL2465340

SCHEMBL2465340

Cc1[nH]c2cc(C#N)c(O)cc2c1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
MAPT P10636 5/20 0.55
GAA P10253 4/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
AKR1C2 P52895 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MPL P40238 1/20 0.37
RAD52 P43351 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
MET P08581 1/20 0.35
APEX1 P27695 1/20 0.34

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
SCHEMBL2462905 0.79 KDM4E (0.58) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL7364628 0.77 KDM4E (0.68) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2466040 0.76 KDM4E (0.55) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11331485 0.74 KDM4E (0.63) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2004066 0.73 KDM4E (0.65) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2003333 0.73 KDM4E (0.75) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2427937 0.72 MTNR1A (0.46) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11338063 0.71 AKR1C2 (0.66) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL4745322 0.71 KDM4E (0.60) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL6288056 0.71 KDM4E (0.77) 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 5 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-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
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 1072/4885MAPT 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.