Sugi Predict

Sugi Predict / Compounds / SCHEMBL2010468

SCHEMBL2010468

SCHEMBL2010468

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 8/20 0.76
▸ AKR1C2 P52895 7/20 0.76
▸ PTGS2 P35354 5/20 0.76
▸ HIF1A Q16665 3/20 0.76
▸ PTGS1 P23219 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ CYP2D6 P10635 2/20 0.76
▸ CYP2C9 P11712 2/20 0.76
▸ NPSR1 Q6W5P4 2/20 0.76
▸ AKR1C4 P17516 2/20 0.76
▸ AKR1C1 Q04828 2/20 0.76
▸ ABCB1 P08183 2/20 0.76
▸ GLO1 Q04760 2/20 0.76
▸ KDM4E B2RXH2 1/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ PTGES O14684 1/20 0.76
▸ ABCC3 O15438 1/20 0.76
▸ ABCC4 O15439 1/20 0.76
▸ ABCB11 O95342 1/20 0.76

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
SCHEMBL6025180 0.87 PTGS1 (0.74) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL29525957 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL9300 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL3518614 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL29353712 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1APTGS1
SCHEMBL8645594 0.86 AKR1C3 (1.00) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL23391006 0.85 PTGS2 (0.98) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL6356562 0.85 PTGS2 (0.98) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL6554617 0.85 PTGS2 (0.98) AKR1C3AKR1C2PTGS2HIF1APTGS1
Indomethacin SCHEMBL22472310 0.85 PTGS2 (0.98) AKR1C3AKR1C2PTGS2HIF1APTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 — — US disclosed
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 AKR1C3 1274/4885AKR1C2 1417/4885PTGS2 45/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 AKR1C3 1451/4885AKR1C2 1219/4885PTGS2 67/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1C3 970/4885AKR1C2 848/4885PTGS2 460/4885
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH FAAH2, FAAH, PTGES2 AKR1C3 1303/4885AKR1C2 1007/4885PTGS2 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.