SCHEMBL2004036

SCHEMBL2004036

CC(=O)c1sc(-c2ccc(OCCCOc3ccc4[nH]c(C(C)C(=O)O)cc4c3)nc2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.57
PPARA Q07869 14/20 0.57
TARBP2 Q15633 1/20 0.40
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1999965 0.85 PPARA (0.45) PPARDPPARA
SCHEMBL2004039 0.84 PPARD (0.56) PPARDPPARATARBP2RAB9A
SCHEMBL2002314 0.81 PPARD (0.56) PPARDPPARAMAPTKDM4EALDH1A1
SCHEMBL1999279 0.81 PPARD (0.56) PPARDPPARAMAPTKDM4EALDH1A1
SCHEMBL2000353 0.81 PPARD (0.56) PPARDPPARAMAPTKDM4EALDH1A1
SCHEMBL12568680 0.79 PPARD (0.57) PPARDPPARATARBP2RAB9A
SCHEMBL2000115 0.76 PPARD (0.61) PPARDPPARA
SCHEMBL2002187 0.76 PPARD (0.58) PPARDPPARA
SCHEMBL1400810 0.73 PPARA (1.00) PPARDPPARA
SCHEMBL2000619 0.72 PPARD (0.58) PPARDPPARARAB9AKMT2AMAPT

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 PPARD 452/4885PPARA 243/4885TARBP2 4536/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885TARBP2 4536/4885

“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.