SCHEMBL4554736

SCHEMBL4554736

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CC(=O)O.Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CC=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.44
OXER1 Q8TDS5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMO O15229 2/20 0.36
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 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
SCHEMBL961862 0.93 PTGDR2 (0.48) PTGDR2OXER1KDM4EKMOMAPK8
SCHEMBL963803 0.92 MAPK8 (0.39) PTGDR2OXER1RAB9ANPC1KMT2A
SCHEMBL963701 0.84 PTGDR2 (0.37) PTGDR2OXER1KMORAB9ANPC1
SCHEMBL963703 0.84 PTGDR2 (0.37) PTGDR2OXER1KMORAB9ANPC1
SCHEMBL968306 0.83 OXER1 (0.45) PTGDR2OXER1KMORAB9ANPC1
SCHEMBL963044 0.82 OXER1 (0.49) PTGDR2OXER1KMOMAPK8
SCHEMBL963809 0.82 MAPK8 (0.36) PTGDR2OXER1KMORAB9ANPC1
SCHEMBL963435 0.81 MAPK8 (0.38) PTGDR2OXER1RAB9ANPC1KMT2A
SCHEMBL964505 0.80 PTGDR2 (0.39) PTGDR2OXER1KDM4EKMOKMT2A
SCHEMBL961662 0.80 KMT2A (0.41) PTGDR2OXER1KMORAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 PTGDR2 2740/4885OXER1 2529/4885KDM4E 1314/4885

“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.