Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004980

SCHEMBL2004980

SCHEMBL2004980

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 7/20 0.46
▸ AKR1B1 P15121 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BLM P54132 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
SCHEMBL2003634 0.91 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1PTGDR2ALDH1A1
SCHEMBL2010086 0.87 PLA2G2A (0.47) PLA2G2AAKR1B1L3MBTL1ALDH1A1PTGS1
SCHEMBL2006229 0.86 PLA2G2A (0.48) PLA2G2AAKR1B1L3MBTL1ALDH1A1KDM4E
SCHEMBL2010470 0.86 PLA2G2A (0.63) PLA2G2AL3MBTL1PTGDR2ALDH1A1KDM4E
SCHEMBL2006709 0.86 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1PTGDR2ALDH1A1
SCHEMBL2001090 0.84 PLA2G2A (0.64) PLA2G2AAKR1B1L3MBTL1KDM4EPTGS1
SCHEMBL2002748 0.83 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1PTGDR2ALDH1A1
SCHEMBL2001502 0.83 PLA2G2A (0.52) PLA2G2APTGDR2ALDH1A1KDM4EPTGS1
SCHEMBL2007055 0.79 AKR1B1 (0.47) AKR1B1PTGDR2ALDH1A1KDM4EGAA
SCHEMBL2002788 0.79 AKR1B1 (0.47) PLA2G2AAKR1B1L3MBTL1ALDH1A1KDM4E

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.