Sugi Predict

Sugi Predict / Compounds / SCHEMBL2012300

SCHEMBL2012300

SCHEMBL2012300

O=C(O)Cc1c(I)n(Cc2ccccc2O)c2cc(O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 6/20 0.46
▸ AKR1B1 P15121 2/20 0.44
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ FOLH1 Q04609 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CAMK2A Q9UQM7 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ GRB2 P62993 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL2006709 0.91 PLA2G2A (0.46) PLA2G2AAKR1B1THRATHRBL3MBTL1
SCHEMBL2002697 0.87 PLA2G2A (0.47) PLA2G2AAKR1B1THRATHRBFOLH1
SCHEMBL2002582 0.86 PLA2G2A (0.63) PLA2G2AAKR1B1THRATHRBL3MBTL1
SCHEMBL2003567 0.86 PLA2G2A (0.48) PLA2G2AAKR1B1THRATHRBL3MBTL1
SCHEMBL2003634 0.86 PLA2G2A (0.46) PLA2G2AAKR1B1THRATHRBFOLH1
SCHEMBL2001908 0.84 PLA2G2A (0.53) PLA2G2AAKR1B1THRATHRB
SCHEMBL2007907 0.83 PLA2G2A (0.46) PLA2G2AAKR1B1THRATHRBL3MBTL1
SCHEMBL2006193 0.83 PLA2G2A (0.52) PLA2G2ATHRATHRBFOLH1KDM4E
SCHEMBL2005086 0.79 AKR1B1 (0.47) PLA2G2AAKR1B1THRATHRBFOLH1
SCHEMBL2002546 0.79 AKR1B1 (0.47) AKR1B1THRATHRBFOLH1KDM4E

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 1157/4885THRA 1983/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885AKR1B1 696/4885THRA 2755/4885

“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.