SCHEMBL1998693

SCHEMBL1998693

CCCc1cc(-c2nc3c(s2)CCCC3)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
ALOX5 P09917 2/20 0.46
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
FFAR4 Q5NUL3 4/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL31677643 0.81 SNCA (0.50) PPARDPPARAESR2LMNAKDM4E
SCHEMBL1400783 0.81 ESR1 (0.42) PPARDPPARAALOX5ESR1ESR2
SCHEMBL26136695 0.78 SNCA (0.50) PPARDPPARAESR2LMNAKDM4E
SCHEMBL12568336 0.75 ESR1 (0.50) PPARDPPARAALOX5ESR1ESR2
SCHEMBL1400294 0.71 SREBF2 (0.50) PPARDPPARAALOX5ESR1ESR2
SCHEMBL30250904 0.71 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL5127450 0.71 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL19954984 0.69 KDM4E (0.53) LMNAKDM4ENPC1ALDH1A1GLA
SCHEMBL13667275 0.67 GAA (0.53) LMNAKDM4ENPC1ALDH1A1GLA
SCHEMBL17332419 0.67 NPC1 (0.51) LMNAKDM4ENPC1ALDH1A1GLA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
EP-1620088-A4 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORP (US) 2007-08-29 EP disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 US disclosed
EP-1620088-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004098498-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-18 WO 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885ALOX5 88/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885ALOX5 88/4885

“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.