Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004822

SCHEMBL2004822

SCHEMBL2004822

CCc1ccc(-c2ncc(F)c(CNCCCOc3ccc4[nH]c(C(C)C(=O)O)cc4c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.40
▸ PPARD Q03181 6/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PPARG P37231 3/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL2026488 0.93 PPARA (0.35) PPARAPPARDHRH4PPARGTRPV3
SCHEMBL2004368 0.92 APP (0.35) PPARAPPARDHDAC6HRH4TRPV3
SCHEMBL4229893 0.88 PPARA (0.40) PPARAPPARDPPARGKDM4EALDH1A1
SCHEMBL2006662 0.86 PPARA (0.43) PPARAPPARDHDAC6HRH4PPARG
SCHEMBL2004819 0.85 PPARD (0.40) PPARAPPARDKDM4E
SCHEMBL2004815 0.82 PPARA (0.58) PPARAPPARDPPARGKDM4EALDH1A1
SCHEMBL2004870 0.81 CHRNA7 (0.37) PPARAPPARDKDM4EALDH1A1NPC1
SCHEMBL2004830 0.80 KDM4E (0.37) HDAC6PPARGKDM4EALDH1A1NPC1
SCHEMBL2006659 0.79 PPARD (0.47) PPARAPPARDHDAC6PPARGKDM4E
SCHEMBL2004288 0.78 MTNR1A (0.40) PPARAPPARDHDAC6HRH4KDM4E

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 PPARA 243/4885PPARD 452/4885HDAC6 555/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885HDAC6 555/4885

“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.