Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004368

SCHEMBL2004368

SCHEMBL2004368

COc1ccc(-c2ncc(F)c(CNCCCOc3ccc4[nH]c(C(C)C(=O)O)cc4c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ HDAC1 Q13547 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
SCHEMBL2026488 0.94 PPARA (0.35) KDM4EALDH1A1TRPV3XDHPPARD
SCHEMBL2004822 0.92 PPARA (0.40) CNR1KDM4EALDH1A1TRPV3XDH
SCHEMBL2004830 0.87 KDM4E (0.37) APPCYP2C19CNR1KDM4EMAPT
SCHEMBL2004288 0.86 MTNR1A (0.40) CNR1KDM4EMAPTALDH1A1PPARD
SCHEMBL2004366 0.85 MTNR1A (0.39) CYP2C19KDM4EMAPTMTNR1AMEN1
SCHEMBL2004870 0.82 CHRNA7 (0.37) KDM4EMAPTALDH1A1XDHPPARD
SCHEMBL2004363 0.82 PPARD (0.48) APPCYP2C19PPARDPPARAFLT3
SCHEMBL4229893 0.80 PPARA (0.40) CNR1KDM4EMAPTALDH1A1XDH
SCHEMBL2026487 0.79 HTR1A (0.36) KDM4EMAPTTRPV3PPARDPPARA
SCHEMBL2006662 0.78 PPARA (0.43) CNR1KDM4EALDH1A1PPARDPPARA

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 APP 1224/4885CYP2C19 732/4885CNR1 415/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT APP 1224/4885CYP2C19 732/4885CNR1 415/4885

“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.