Sugi Predict

Sugi Predict / Compounds / SCHEMBL2007216

SCHEMBL2007216

SCHEMBL2007216

COc1ccc2[nH]c(C)c(CC(=O)O)c2c1C(=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ LMNA P02545 3/20 0.40
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL5496301 0.89 AKR1C2 (0.46) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL10593457 0.88 LMNA (0.38) GAAALDH1A1LMNATUBB4ATUBB
SCHEMBL8646568 0.87 ALDH1A1 (0.40) GAAMAPTALDH1A1LMNATUBB4A
SCHEMBL6013496 0.87 AKR1C2 (0.49) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL5499426 0.85 AKR1C2 (0.48) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL998208 0.84 AKR1C2 (0.46) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL9017484 0.80 AKR1C2 (0.56) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL7698648 0.80 AKR1C2 (0.45) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL3001361 0.79 AKR1C2 (0.53) AKR1C2KDM4EGAAMAPTALDH1A1
SCHEMBL7755896 0.78 AKR1C2 (0.43) AKR1C2KDM4EGAAMAPTALDH1A1

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 21 patents — showing the first 20. 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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO 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
EP-1811993-A2 MODULATORS OF CRTH2, COX-2 AND FAAH Microbia, Inc. (US) 2007-08-01 — — EP 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
WO-2006036994-A2 MODULATORS OF CRTH2, COX-2 AND FAAH MICROBIA, INC. (US) 2006-04-06 — — WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 — — US disclosed
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 — — US disclosed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 — — WO 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 AKR1C2 862/4885KDM4E 1639/4885GAA 3939/4885
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 AKR1C2 342/4885KDM4E 1786/4885GAA 3212/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C2 563/4885KDM4E 2209/4885GAA 4290/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1C2 848/4885KDM4E 2232/4885GAA 1769/4885
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH FAAH2, FAAH, PTGES2 AKR1C2 1007/4885KDM4E 3821/4885GAA 4641/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 AKR1C2 1010/4885KDM4E 1921/4885GAA 4207/4885

“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.