SCHEMBL1998011

SCHEMBL1998011

O=C(O)Cc1c[nH]c2ccc(OCCCNCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
HTR1A P08908 4/20 0.40
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
ICMT O60725 1/20 0.40
HCRTR2 O43614 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.38
SLC6A4 P31645 1/20 0.38
LTA4H P09960 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL4237361 0.92 TRPV1 (0.42) TRPV1PPARGPPARDPPARAKDM4E
SCHEMBL2004284 0.91 KDM4E (0.51) TRPV1PPARGPPARDPPARAKDM4E
SCHEMBL2006659 0.89 PPARD (0.47) PPARGPPARDPPARAKDM4EHTR1A
SCHEMBL2001959 0.86 USP2 (0.46) PPARGPPARDPPARAKDM4EHTR1A
SCHEMBL1998013 0.85 TRPV3 (0.42) PPARGPPARDPPARAKDM4ETRPV3
SCHEMBL2008026 0.85 PPARD (0.46) PPARGPPARDPPARAKDM4EHTR1A
SCHEMBL2003374 0.84 KDM4E (0.46) PPARGPPARDPPARAKDM4EHTR1A
SCHEMBL1999970 0.81 PPARD (0.49) PPARGPPARDPPARAKDM4EHTR1A
SCHEMBL6017333 0.79 TRPV1 (0.48) TRPV1PPARGPPARDPPARAKDM4E
SCHEMBL2026487 0.78 HTR1A (0.36) PPARDPPARAKDM4ETRPV3HTR1A

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 TRPV1 1392/4885PPARG 347/4885PPARD 452/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT TRPV1 1392/4885PPARG 347/4885PPARD 452/4885

“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.