Sugi Predict

Sugi Predict / Compounds / SCHEMBL2008295

SCHEMBL2008295

SCHEMBL2008295

O=C(O)Cc1cn(Cc2ccccc2O)c2c(O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CDC25A P30304 1/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ MCL1 Q07820 3/20 0.41
▸ PLK1 P53350 5/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ TTR P02766 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CASP6 P55212 1/20 0.38

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
SCHEMBL2006388 0.90 AKR1B1 (0.50) AKR1B1TDP1ALDH1A1LMNACDC25A
SCHEMBL1997691 0.89 ALDH1A1 (0.58) AKR1B1TDP1ALDH1A1LMNACDC25A
SCHEMBL2006257 0.84 ALDH1A1 (0.50) AKR1B1TDP1ALDH1A1LMNACDC25A
SCHEMBL2004279 0.82 LMNA (0.54) AKR1B1ALDH1A1LMNACDC25AABCB1
SCHEMBL2001314 0.78 AKR1B1 (0.56) AKR1B1TDP1ALDH1A1LMNACDC25A
SCHEMBL2004427 0.77 PLA2G2A (0.62) AKR1B1ALDH1A1LMNACDC25AMCL1
SCHEMBL2012378 0.77 AKR1B1 (0.51) AKR1B1ALDH1A1LMNACDC25AMCL1
SCHEMBL2010075 0.76 AKR1B1 (0.49) AKR1B1ALDH1A1LMNACDC25AKDM4E
SCHEMBL2004339 0.76 SLC22A12 (0.53) AKR1B1ALDH1A1LMNACDC25AMCL1
SCHEMBL72309 0.74 AKR1B1 (1.00) AKR1B1TDP1ALDH1A1MCL1TTR

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 AKR1B1 1157/4885TDP1 2888/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1B1 696/4885TDP1 1782/4885ALDH1A1 178/4885

“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.