Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002967

SCHEMBL2002967

SCHEMBL2002967

Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.79
▸ PTGS2 P35354 5/20 0.79
▸ AKR1C3 P42330 7/20 0.61
▸ AKR1C2 P52895 7/20 0.61
▸ ABCB1 P08183 3/20 0.59
▸ AKR1C4 P17516 2/20 0.59
▸ AKR1C1 Q04828 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ PTGES O14684 1/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ MT-CO2 P00403 1/20 0.59

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
SCHEMBL5554419 0.90 PTGS1 (0.74) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL6425344 0.90 PTGS2 (0.64) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL6466294 0.89 PTGS2 (0.63) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL2996680 0.88 PTGS1 (1.00) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL6423952 0.88 PTGS2 (0.62) PTGS1PTGS2AKR1C3AKR1C2NPSR1
SCHEMBL5560431 0.87 PTGS2 (0.65) PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL5559534 0.86 PTGS2 (0.64) PTGS1PTGS2
SCHEMBL13802388 0.86 ABCB1 (0.76) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL4055730 0.86 PTGS1 (0.82) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL2007480 0.86 AKR1C3 (0.80) PTGS1PTGS2AKR1C3AKR1C2ABCB1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 — — EP claimed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 — — US claimed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 — — WO 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-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-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 — — US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 — — US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 — — WO 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
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 — — 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
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 — — US disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 — — 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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 PTGS1 7/4885PTGS2 1/4885AKR1C3 1000/4885
US-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 PTGS1 3/4885PTGS2 2/4885AKR1C3 2613/4885
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 PTGS1 1860/4885PTGS2 3341/4885AKR1C3 53/4885
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS1 6/4885PTGS2 3/4885AKR1C3 585/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS1 7/4885PTGS2 4/4885AKR1C3 577/4885

“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.