SCHEMBL2006019

SCHEMBL2006019

O=C(O)Cc1cc2cc(OCCCNCc3nc(-c4ccc(OC(F)(F)F)cc4)ncc3F)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
FFAR1 O14842 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CNR1 P21554 1/20 0.36
IDO1 P14902 1/20 0.35
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
ABL1 P00519 1/20 0.34
PPARD Q03181 2/20 0.34
EPHX2 P34913 1/20 0.34
DRD4 P21917 1/20 0.34
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.33
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL1998013 0.92 TRPV3 (0.42) FFAR4FFAR1KDM4EGAAHDAC1
SCHEMBL2006662 0.91 PPARA (0.43) FFAR4KDM4ECNR1PPARAPPARG
SCHEMBL2004288 0.91 MTNR1A (0.40) KDM4EGAAHDAC1CNR1PPARA
SCHEMBL4237361 0.85 TRPV1 (0.42) KDM4EHDAC1PPARAPPARGPPARD
SCHEMBL2008027 0.84 PPARA (0.42) KDM4EPPARAPPARGPPARDDRD4
SCHEMBL2003376 0.83 DRD4 (0.37) KDM4EHDAC1HDAC2PPARDDRD4
SCHEMBL1999972 0.82 PPARA (0.43) KDM4EPPARAPPARGPPARDDRD4
SCHEMBL2006018 0.81 PPARD (0.51) FFAR4FFAR1PPARAABL1PPARD
SCHEMBL2026488 0.77 PPARA (0.35) KDM4EKMT2APPARAPPARGPPARD
SCHEMBL2004822 0.77 PPARA (0.40) KDM4EGAACNR1PPARAPPARG

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 KLKB1 3000/4885FFAR4 43/4885FFAR1 47/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT KLKB1 3000/4885FFAR4 43/4885FFAR1 47/4885

“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.