Sugi Predict

Sugi Predict / Compounds / SCHEMBL2012305

SCHEMBL2012305

SCHEMBL2012305

O=C(O)Cc1c(Br)n(Cc2ccccc2O)c2cccc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.49
▸ PLA2G2A P14555 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 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
SCHEMBL2002696 0.86 PLA2G2A (0.49) AKR1B1PLA2G2AKDM4EALDH1A1MEN1
SCHEMBL2005086 0.86 AKR1B1 (0.47) AKR1B1PLA2G2AKDM4EALDH1A1MEN1
SCHEMBL2002788 0.86 AKR1B1 (0.47) AKR1B1PLA2G2AKDM4EALDH1A1MEN1
SCHEMBL2009549 0.86 PLA2G2A (0.65) AKR1B1PLA2G2ATHRBCMA1THRA
SCHEMBL2001958 0.85 PLA2G2A (0.51) AKR1B1PLA2G2AKDM4EALDH1A1MEN1
SCHEMBL2004765 0.84 PLA2G2A (0.48) AKR1B1PLA2G2A
SCHEMBL2005751 0.83 PLA2G2A (0.46) AKR1B1PLA2G2AKDM4EALDH1A1MEN1
SCHEMBL2009316 0.79 AKR1B1 (0.49) AKR1B1PLA2G2AKDM4EALDH1A1THRB
SCHEMBL2010086 0.79 PLA2G2A (0.47) AKR1B1PLA2G2AALDH1A1MAPTGAA
SCHEMBL2002697 0.79 PLA2G2A (0.47) AKR1B1PLA2G2AKDM4EALDH1A1THRB

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 1157/4885PLA2G2A 3285/4885KDM4E 2243/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1B1 696/4885PLA2G2A 326/4885KDM4E 2232/4885

“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.