SCHEMBL1998775

SCHEMBL1998775

COc1ccc(OCCOc2ccc3c(ccn3C(C)C(=O)O)c2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
S1PR1 P21453 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ACACB O00763 1/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 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
SCHEMBL2000849 0.85 PPARA (0.42) PPARGPPARDPPARAITGB3ITGAV
SCHEMBL2000968 0.81 KDM4E (0.45) NPC1RAB9APPARGPPARDKMT2A
SCHEMBL18258592 0.81 AKR1C3 (0.54) HSD17B10SLC6A2SLC6A4KMT2AHTR2C
SCHEMBL18258591 0.81 AKR1C3 (0.54) HSD17B10SLC6A2SLC6A4KMT2AHTR2C
SCHEMBL1997202 0.80 PPARD (0.46) PPARGPPARDPPARAITGB3ITGAV
SCHEMBL1998860 0.78 PPARD (0.47) NPC1RAB9APPARGPPARDPPARA
SCHEMBL2003264 0.77 PPARG (0.47) NPC1RAB9APPARGPPARDPPARA
SCHEMBL2001979 0.77 PPARA (0.52) PPARGPPARDPPARA
SCHEMBL2001227 0.77 NPSR1 (0.47) PPARGPPARDPPARAKMT2AALDH1A1
SCHEMBL2000563 0.76 ITGB3 (0.44) PPARGPPARDPPARAITGB3ITGAV

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 10 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-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 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-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-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 NPC1 781/4885RAB9A 3033/4885PPARG 347/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT NPC1 781/4885RAB9A 3033/4885PPARG 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.