SCHEMBL2461597

SCHEMBL2461597

COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccccc3)c2cc1Cl

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.86
PTGS1 P23219 5/20 0.86
LMNA P02545 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
HIF1A Q16665 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
AKR1C3 P42330 8/20 0.61
AKR1C2 P52895 8/20 0.61
ABCB1 P08183 4/20 0.61
AKR1C4 P17516 2/20 0.61
AKR1C1 Q04828 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
PTGES O14684 1/20 0.61
ABCC3 O15438 1/20 0.61
ABCC4 O15439 1/20 0.61

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
SCHEMBL2006053 0.92 PTGS2 (1.00) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL5435359 0.92 PTGS1 (0.88) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL2006479 0.92 PTGS1 (0.79) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL5447423 0.91 PTGS1 (0.86) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL5444132 0.91 PTGS2 (0.86) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL2001089 0.90 PTGS1 (0.81) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL3004026 0.90 PTGS2 (0.84) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL5444258 0.90 PTGS2 (0.84) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL2005792 0.89 PTGS1 (0.82) PTGS2PTGS1LMNACYP1A2CYP2D6
SCHEMBL2006282 0.89 PTGS2 (0.72) PTGS2PTGS1LMNACYP1A2CYP2D6

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 9 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-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-20070161698-A1 Modulators of CRTH2 Activity MICROBIA, INC. 2007-07-12 US 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-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
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (4 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 1860/4885LMNA 2886/4885
US-20060135591-A1 Modulators of CRTH2 activity HRH2, HRH1, MRGPRX2 PTGS2 110/4885PTGS1 189/4885LMNA 4458/4885
US-20070161698-A1 Modulators of CRTH2 Activity HRH2, HRH1, MRGPRX2 PTGS2 110/4885PTGS1 189/4885LMNA 4458/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885LMNA 3613/4885

“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.