Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004765

SCHEMBL2004765

SCHEMBL2004765

CCc1c(CC(=O)O)c2c(O)cccc2n1Cc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 17/20 0.48
▸ AKR1B1 P15121 1/20 0.45
▸ PLA2G1B P04054 2/20 0.42
▸ PLA2G10 O15496 1/20 0.39
▸ PLA2G6 O60733 1/20 0.39
▸ PLA2G5 P39877 1/20 0.39
▸ PLA2G2C Q5R387 1/20 0.39
▸ PLA2G12B Q9BX93 1/20 0.39
▸ PLA2G12A Q9BZM1 1/20 0.39
▸ PLA2G2F Q9BZM2 1/20 0.39
▸ PLA2G3 Q9NZ20 1/20 0.39
▸ PLA2G2E Q9NZK7 1/20 0.39
▸ PLA2G2D Q9UNK4 1/20 0.39
▸ ABCB1 P08183 1/20 0.39

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
SCHEMBL2002268 0.91 PLA2G2A (0.45) PLA2G2AAKR1B1PLA2G1B
SCHEMBL2000980 0.89 PLA2G2A (0.60) PLA2G2APLA2G1BPLA2G10PLA2G6PLA2G5
SCHEMBL2009549 0.85 PLA2G2A (0.65) PLA2G2AAKR1B1PLA2G1B
SCHEMBL2005741 0.84 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G10PLA2G6PLA2G5
SCHEMBL2005751 0.84 PLA2G2A (0.46) PLA2G2AAKR1B1
SCHEMBL2012305 0.84 AKR1B1 (0.49) PLA2G2AAKR1B1
SCHEMBL2005086 0.82 AKR1B1 (0.47) PLA2G2AAKR1B1
SCHEMBL2005114 0.82 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10PLA2G6PLA2G5
SCHEMBL2002788 0.82 AKR1B1 (0.47) PLA2G2AAKR1B1
SCHEMBL2002696 0.82 PLA2G2A (0.49) PLA2G2AAKR1B1

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 1157/4885PLA2G1B 2354/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885AKR1B1 696/4885PLA2G1B 220/4885

“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.