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Sugi Predict / Compounds / SCHEMBL2005441

SCHEMBL2005441

SCHEMBL2005441

CC(C)c1c(CC(=O)O)c2ccc(O)cc2n1Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 4/20 0.52
▸ S1PR3 Q99500 8/20 0.51
▸ THRA P10827 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ YWHAH Q04917 2/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CAMK2A Q9UQM7 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL2001945 0.94 PLA2G2A (0.60) PLA2G2AS1PR3THRATHRBYWHAH
SCHEMBL2001513 0.91 THRB (0.44) PLA2G2AS1PR3THRATHRBYWHAH
SCHEMBL2008951 0.90 PLA2G2A (0.52) PLA2G2AS1PR3THRATHRBPTGDR2
SCHEMBL2004458 0.90 PLA2G2A (0.52) PLA2G2AS1PR3THRATHRBYWHAH
SCHEMBL2001937 0.84 PLA2G2A (0.60) PLA2G2AS1PR3THRATHRBPTGDR2
SCHEMBL2007907 0.84 PLA2G2A (0.46) PLA2G2AS1PR3THRATHRB
SCHEMBL2005273 0.84 THRA (0.44) PLA2G2AS1PR3THRATHRBPTGDR2
SCHEMBL2006271 0.84 PLA2G2A (0.72) PLA2G2ATHRATHRBPTGDR2MEN1
SCHEMBL2006054 0.82 S1PR3 (0.60) PLA2G2AS1PR3
SCHEMBL2003821 0.82 PLA2G2A (0.53) PLA2G2ATHRATHRBPTGDR2CA2

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 3285/4885S1PR3 1215/4885THRA 1983/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885S1PR3 2165/4885THRA 2755/4885

“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.