SCHEMBL5452301

SCHEMBL5452301

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.63
AKR1C2 P52895 8/20 0.63
PTGS1 P23219 2/20 0.62
PTGS2 P35354 2/20 0.62
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
HIF1A Q16665 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
PPARG P37231 6/20 0.57
ABCB1 P08183 2/20 0.57
AKR1C4 P17516 2/20 0.57
AKR1C1 Q04828 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
PTGES O14684 1/20 0.57
ABCC3 O15438 1/20 0.57

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
SCHEMBL5447413 0.93 AKR1C3 (0.60) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5444345 0.93 AKR1C3 (0.59) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5452320 0.92 AKR1C3 (0.72) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL6423827 0.91 PTGS2 (0.58) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL6461110 0.90 PTGS2 (0.55) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL5555446 0.90 AKR1C3 (0.52) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL6423472 0.90 PTGS2 (0.59) AKR1C3AKR1C2PTGS1PTGS2NPSR1
SCHEMBL5445756 0.89 PTGS2 (0.78) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5553819 0.89 PPARG (0.49) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL5445921 0.89 AKR1C3 (0.72) AKR1C3AKR1C2PTGS1PTGS2LMNA

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 13 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
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP 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
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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 (5 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 AKR1C3 53/4885AKR1C2 87/4885PTGS1 1860/4885
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 AKR1C3 585/4885AKR1C2 342/4885PTGS1 6/4885
US-20060135591-A1 Modulators of CRTH2 activity HRH2, HRH1, MRGPRX2 AKR1C3 3064/4885AKR1C2 2503/4885PTGS1 189/4885
US-20070161698-A1 Modulators of CRTH2 Activity HRH2, HRH1, MRGPRX2 AKR1C3 3064/4885AKR1C2 2503/4885PTGS1 189/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS1 7/4885

“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.