SCHEMBL2005386

SCHEMBL2005386

COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.81
PTGS1 P23219 6/20 0.81
AKR1C3 P42330 8/20 0.69
AKR1C2 P52895 7/20 0.69
ABCB1 P08183 4/20 0.69
GLO1 Q04760 2/20 0.69
HIF1A Q16665 2/20 0.69
AKR1C4 P17516 2/20 0.69
AKR1C1 Q04828 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
PTGES O14684 1/20 0.69
ABCC3 O15438 1/20 0.69
ABCC4 O15439 1/20 0.69
ABCB11 O95342 1/20 0.69
MT-CO2 P00403 1/20 0.69
LMNA P02545 1/20 0.69
ALB P02768 1/20 0.69
CYP1A2 P05177 1/20 0.69
ALOX5 P09917 1/20 0.69

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
SCHEMBL5796909 1.00 PTGS2 (0.81) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL3002102 0.92 AKR1C3 (0.72) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL5433909 0.92 AKR1C3 (0.68) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL12255238 0.91 PTGS2 (0.70) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL5448589 0.91 PTGS1 (0.66) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL5452320 0.91 AKR1C3 (0.72) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL5444320 0.90 LMNA (0.67) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL5444293 0.90 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL2006053 0.89 PTGS2 (1.00) PTGS2PTGS1AKR1C3AKR1C2ABCB1
SCHEMBL5445921 0.88 AKR1C3 (0.72) PTGS2PTGS1AKR1C3AKR1C2ABCB1

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 10 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 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
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
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 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
US-20070161698-A1 Modulators of CRTH2 Activity MICROBIA, INC. 2007-07-12 US disclosed
US-7205329-B2 Modulators of CRTH2 activity MICROBIA, INC. (US) 2007-04-17 US disclosed
US-20060135591-A1 Modulators of CRTH2 activity IRONWOOD PHARMACEUTICALS, INC. 2006-06-22 US disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 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 (3 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 PTGS2 3341/4885PTGS1 1860/4885AKR1C3 53/4885
US-20060135591-A1 Modulators of CRTH2 activity HRH2, HRH1, MRGPRX2 PTGS2 110/4885PTGS1 189/4885AKR1C3 3064/4885
US-20070161698-A1 Modulators of CRTH2 Activity HRH2, HRH1, MRGPRX2 PTGS2 110/4885PTGS1 189/4885AKR1C3 3064/4885

“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.