Sugi Predict

Sugi Predict / Compounds / SCHEMBL1998658

SCHEMBL1998658

SCHEMBL1998658

CCc1coc(-c2ccc(OCCCOc3ccc4[nH]cc(C(C)C(=O)O)c4c3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.42
▸ PPARA Q07869 7/20 0.42
▸ HTT P42858 1/20 0.41
▸ MTNR1A P48039 4/20 0.39
▸ MTNR1B P49286 4/20 0.39
▸ HTR1B P28222 1/20 0.36
▸ PRKAB2 O43741 2/20 0.36
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA2 P54646 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ PRKAG3 Q9UGI9 2/20 0.36
▸ PRKAG2 Q9UGJ0 2/20 0.36
▸ PRKAB1 Q9Y478 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL2005321 0.90 KDM4E (0.41) PPARGPPARAHTTMTNR1AMTNR1B
SCHEMBL2006292 0.83 PPARA (0.41) PPARGPPARAHTTFFAR1HRH3
SCHEMBL1998655 0.82 PPARA (0.43) PPARGPPARAFFAR1HRH3AKR1C3
SCHEMBL2002318 0.77 PPARD (0.55) PPARAHTTMTNR1AMTNR1BPPARD
SCHEMBL2000355 0.77 PPARD (0.55) PPARAHTTMTNR1AMTNR1BPPARD
SCHEMBL1999284 0.77 PPARD (0.55) PPARAHTTMTNR1AMTNR1BPPARD
SCHEMBL1998618 0.76 PPARD (0.56) PPARAPPARD
SCHEMBL2002583 0.75 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL12568529 0.75 PPARA (0.41) PPARGPPARAFFAR1HRH3PPARD
SCHEMBL6221246 0.74 PPARG (0.51) PPARGPPARAPPARD

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 PPARG 347/4885PPARA 243/4885HTT 207/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARG 347/4885PPARA 243/4885HTT 207/4885

“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.