SCHEMBL2006818

SCHEMBL2006818

Cc1c(C(C)C(=O)O)[nH]c2ccc(OCCCOc3ccc(-c4nc5c(o4)CCCC5)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR1 P21453 3/20 0.40
NR1I2 O75469 1/20 0.37
PPARG P37231 12/20 0.37
PPARA Q07869 10/20 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
SCHEMBL2000521 0.92 PPARA (0.41) PPARGPPARA
SCHEMBL1383663 0.89 PPARA (0.43) PPARGPPARA
SCHEMBL2000348 0.83 PPARD (0.53) NR1I2PPARA
SCHEMBL2006292 0.79 PPARA (0.41) NR1I2PPARGPPARA
SCHEMBL2001143 0.78 NR1I2 (0.36) NR1I2PPARGPPARA
SCHEMBL2005443 0.78 PPARG (0.39) NR1I2PPARGPPARA
SCHEMBL2000618 0.78 PPARD (0.58) PPARA
SCHEMBL12568527 0.77 S1PR5 (0.42) S1PR5S1PR3S1PR1PPARGPPARA
SCHEMBL2001195 0.77 PPARA (0.50) NR1I2PPARGPPARA
SCHEMBL2003247 0.74 PPARD (0.60) PPARA

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 S1PR5 637/4885S1PR3 921/4885S1PR1 1149/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT S1PR5 637/4885S1PR3 921/4885S1PR1 1149/4885

“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.