SCHEMBL748224

SCHEMBL748224

O=C(OCc1ccccc1)C(O)Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.52
SLC1A1 P43005 2/20 0.50
PPARG P37231 4/20 0.49
PPARA Q07869 3/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
NR4A2 P43354 2/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL23279460 0.85 PPARG (0.52) PPARGPPARAKDM4EMAPTMAPK1
SCHEMBL7228873 0.85 PPARG (0.52) PPARGPPARAKDM4EMAPTMAPK1
SCHEMBL4219709 0.84 ALDH1A1 (0.55) HCAR2CYP1A2MAPK1ALDH1A1KMT2A
SCHEMBL262278 0.84 ALDH1A1 (0.55) HCAR2CYP1A2MAPK1ALDH1A1KMT2A
SCHEMBL7046944 0.84 ALDH1A1 (0.55) HCAR2CYP1A2MAPK1ALDH1A1KMT2A
SCHEMBL27284287 0.84 HCAR2 (0.51) HCAR2SLC1A1PPARGPPARAKDM4E
SCHEMBL15888143 0.84 SLC1A1 (0.56) HCAR2SLC1A1PPARGPPARAKDM4E
SCHEMBL8544723 0.83 LTA4H (0.63) HCAR2SLC1A1PPARGPPARAKDM4E
Hydrochloric Acid SCHEMBL15876044 0.83 SLC1A1 (0.55) HCAR2SLC1A1PPARGPPARAKDM4E
SCHEMBL28020333 0.82 SLC1A1 (0.49) HCAR2SLC1A1PPARGPPARAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
EP-2054429-B1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA INC (CA) 2013-11-06 EP disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
EP-2054429-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS Tranzyme Pharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 WO 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 (1 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-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 HCAR2 485/4885SLC1A1 1625/4885PPARG 1637/4885

“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.