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Sugi Predict / Compounds / SCHEMBL2003567

SCHEMBL2003567

SCHEMBL2003567

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 7/20 0.48
▸ AKR1B1 P15121 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CAMK2A Q9UQM7 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL2006229 0.91 PLA2G2A (0.48) PLA2G2AAKR1B1L3MBTL1PTGS1PTGS2
SCHEMBL2002697 0.87 PLA2G2A (0.47) PLA2G2AAKR1B1L3MBTL1CAMK2ATHRA
SCHEMBL2012300 0.86 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1CAMK2ATHRA
SCHEMBL2003634 0.86 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1PTGDR2CAMK2A
SCHEMBL2002582 0.86 PLA2G2A (0.63) PLA2G2AAKR1B1L3MBTL1PTGDR2PTGS1
SCHEMBL2001908 0.84 PLA2G2A (0.53) PLA2G2AAKR1B1THRATHRB
SCHEMBL2003821 0.84 PLA2G2A (0.53) PLA2G2APTGDR2CAMK2APTGS1PTGS2
SCHEMBL2007907 0.83 PLA2G2A (0.46) PLA2G2AAKR1B1L3MBTL1THRATHRB
SCHEMBL2002696 0.79 PLA2G2A (0.49) PLA2G2AAKR1B1L3MBTL1PTGDR2TTR
SCHEMBL2003904 0.79 AKR1B1 (0.47) PLA2G2AAKR1B1PTGDR2PTGS1PTGS2

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 9 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
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.