Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004288

SCHEMBL2004288

SCHEMBL2004288

COc1ccc(-c2ncc(F)c(CNCCCOc3ccc4[nH]c(CC(=O)O)cc4c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 1/20 0.39
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL2006662 0.92 PPARA (0.43) MTNR1APPARDPPARACNR1KDM4E
SCHEMBL1998013 0.91 TRPV3 (0.42) PPARDPPARAKDM4EDRD4ALDH1A1
SCHEMBL2006019 0.91 KLKB1 (0.37) PPARDPPARACNR1KDM4EMAPT
SCHEMBL2008027 0.87 PPARA (0.42) PPARDPPARAKDM4EGRIN1GRIN2B
SCHEMBL2004368 0.86 APP (0.35) MTNR1APPARDPPARACNR1KDM4E
SCHEMBL2003376 0.85 DRD4 (0.37) MTNR1AMTNR1BPPARDKDM4EGRIN1
SCHEMBL1999972 0.83 PPARA (0.43) PPARDPPARAKDM4EGRIN1GRIN2B
SCHEMBL2004281 0.81 PPARD (0.51) PPARDPPARA
SCHEMBL2026488 0.80 PPARA (0.35) PPARDPPARAKDM4EDRD4ALDH1A1
SCHEMBL5230580 0.80 PPARG (0.51) PPARDPPARAGRIN2B

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 4 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-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-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 — — 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT MTNR1A 783/4885MTNR1B 798/4885PPARD 452/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT MTNR1A 783/4885MTNR1B 798/4885PPARD 452/4885

“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.