Sugi Predict

Sugi Predict / Compounds / SCHEMBL2000986

SCHEMBL2000986

SCHEMBL2000986

Cc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.72
▸ AKR1C2 P52895 6/20 0.72
▸ PTGS2 P35354 6/20 0.71
▸ PTGS1 P23219 5/20 0.71
▸ ABCB1 P08183 4/20 0.65
▸ GLO1 Q04760 2/20 0.64
▸ HIF1A Q16665 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ PTGES O14684 1/20 0.64
▸ ABCC3 O15438 1/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ MT-CO2 P00403 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ALB P02768 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ ALOX5 P09917 1/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64
▸ CXCL8 P10145 1/20 0.64

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
SCHEMBL5447453 0.91 AKR1C3 (0.66) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5443931 0.91 PTGS1 (0.64) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5439139 0.91 AKR1C3 (0.62) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5558176 0.90 PTGS2 (0.64) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5559379 0.90 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL3001769 0.90 LMNA (0.61) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5559463 0.89 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5560268 0.89 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5559291 0.89 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5445915 0.89 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2PTGS1ABCB1

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 17 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-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
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 (6 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 AKR1C3 1000/4885AKR1C2 862/4885PTGS2 1/4885
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 AKR1C3 53/4885AKR1C2 87/4885PTGS2 3341/4885
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 AKR1C3 585/4885AKR1C2 342/4885PTGS2 3/4885
US-20060135591-A1 Modulators of CRTH2 activity HRH2, HRH1, MRGPRX2 AKR1C3 3064/4885AKR1C2 2503/4885PTGS2 110/4885
US-20070161698-A1 Modulators of CRTH2 Activity HRH2, HRH1, MRGPRX2 AKR1C3 3064/4885AKR1C2 2503/4885PTGS2 110/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS2 4/4885

“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.