Sugi Predict

Sugi Predict / Compounds / SCHEMBL2006709

SCHEMBL2006709

SCHEMBL2006709

O=C(O)Cc1c(I)n(Cc2ccccc2O)c2ccc(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 7/20 0.46
▸ AKR1B1 P15121 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL2012300 0.91 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1GAAALDH1A1
SCHEMBL2010086 0.87 PLA2G2A (0.47) PLA2G2AAKR1B1L3MBTL1PTGS1PTGS2
SCHEMBL2010470 0.86 PLA2G2A (0.63) PLA2G2AL3MBTL1PTGS1PTGS2PLA2G1B
SCHEMBL2006229 0.86 PLA2G2A (0.48) PLA2G2AAKR1B1L3MBTL1PTGS1PTGS2
SCHEMBL2004980 0.86 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1PTGS1PTGS2
SCHEMBL2001090 0.84 PLA2G2A (0.64) PLA2G2AAKR1B1L3MBTL1PTGS1PTGS2
SCHEMBL2002748 0.83 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1PTGS1PTGS2
SCHEMBL2004723 0.83 PLA2G2A (0.52) PLA2G2APTGS1PTGS2PLA2G1BGAA
SCHEMBL2005086 0.79 AKR1B1 (0.47) PLA2G2AAKR1B1L3MBTL1GAAMAPT
SCHEMBL2002546 0.79 AKR1B1 (0.47) AKR1B1GAAALDH1A1KDM4EPTGDR2

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 10 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
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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US 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-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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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 (2 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 PLA2G2A 3285/4885AKR1B1 1157/4885L3MBTL1 2079/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885AKR1B1 696/4885L3MBTL1 3423/4885

“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.