Sugi Predict

Sugi Predict / Compounds / SCHEMBL2026488

SCHEMBL2026488

SCHEMBL2026488

CC(C(=O)O)c1cc2cc(OCCCNCc3nc(-c4ccc(F)cc4)ncc3F)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.35
▸ PPARD Q03181 3/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ DRD4 P21917 1/20 0.34
▸ PPARG P37231 4/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ WRN Q14191 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL2004368 0.94 APP (0.35) PPARAPPARDTRPV3HRH4KMT2A
SCHEMBL2004822 0.93 PPARA (0.40) PPARAPPARDTRPV3PPARGHRH4
SCHEMBL2004870 0.88 CHRNA7 (0.37) PPARAPPARDPDE3BPDE3ASCN9A
SCHEMBL2026487 0.84 HTR1A (0.36) PPARAPPARDTRPV3WNT1KDM4E
SCHEMBL2004830 0.83 KDM4E (0.37) PPARGUSP2POLBCASP1PTPN7
SCHEMBL4229893 0.82 PPARA (0.40) PPARAPPARDPPARGPDE3BPDE3A
SCHEMBL2026484 0.82 PPARD (0.49) PPARAPPARDPDE3BPDE3AHSD17B10
SCHEMBL2004288 0.80 MTNR1A (0.40) PPARAPPARDDRD4HRH4KDM4E
SCHEMBL2004366 0.79 MTNR1A (0.39) USP2POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL2006662 0.79 PPARA (0.43) PPARAPPARDDRD4PPARGHRH4

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 452/4885TRPV3 1904/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885TRPV3 1904/4885

“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.