Sugi Predict

Sugi Predict / Compounds / SCHEMBL1998013

SCHEMBL1998013

SCHEMBL1998013

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.42
▸ PPARA Q07869 6/20 0.37
▸ PPARG P37231 3/20 0.37
▸ CACNA1B Q00975 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ PPARD Q03181 4/20 0.34
▸ MAOB P27338 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR5 Q9H228 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
SCHEMBL2006019 0.92 KLKB1 (0.37) TRPV3PPARAPPARGHDAC1FFAR4
SCHEMBL2004288 0.91 MTNR1A (0.40) PPARAHDAC1KDM4EGAAPPARD
SCHEMBL2006662 0.89 PPARA (0.43) PPARAPPARGFFAR4KDM4EPPARD
SCHEMBL1998011 0.85 TRPV1 (0.42) TRPV3PPARAPPARGHDAC1KDM4E
SCHEMBL2008027 0.84 PPARA (0.42) PPARAPPARGKDM4EPPARDDRD4
SCHEMBL2003376 0.83 DRD4 (0.37) HDAC1PDE3BPDE3AKDM4EPPARD
SCHEMBL1998007 0.81 PPARA (0.49) PPARAPPARGCACNA1BPPARDFFAR1
SCHEMBL1999972 0.80 PPARA (0.43) PPARAPPARGKDM4EPPARDDRD4
SCHEMBL2026488 0.77 PPARA (0.35) TRPV3PPARAPPARGPDE3BPDE3A
SCHEMBL4237361 0.77 TRPV1 (0.42) PPARAPPARGHDAC1KDM4EPPARD

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 TRPV3 1904/4885PPARA 243/4885PPARG 347/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT TRPV3 1904/4885PPARA 243/4885PPARG 347/4885

“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.