SCHEMBL963703

SCHEMBL963703

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
PLA2G4A P47712 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 1/20 0.35
KMO O15229 2/20 0.35
PHGDH O43175 3/20 0.35
MAPT P10636 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
RAB9A P51151 2/20 0.33
CCR2 P41597 1/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL963701 1.00 PTGDR2 (0.37) PTGDR2PLA2G4AOXER1MAPK8MAPK9
SCHEMBL963805 0.88 MAPK8 (0.39) PTGDR2MAPK8MAPK9MAPK10MAPT
SCHEMBL963803 0.85 MAPK8 (0.39) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL4554736 0.84 PTGDR2 (0.44) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL961862 0.84 PTGDR2 (0.48) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL963809 0.83 MAPK8 (0.36) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL968306 0.82 OXER1 (0.45) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL962500 0.82 L3MBTL1 (0.50) PLA2G4AOXER1MAPK8MAPK9KMO
SCHEMBL962501 0.82 L3MBTL1 (0.50) PLA2G4AOXER1MAPK8MAPK9KMO
SCHEMBL961662 0.81 KMT2A (0.41) PTGDR2OXER1MAPK8MAPK9MAPK10

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 PTGDR2 2740/4885PLA2G4A 3024/4885OXER1 2529/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PTGDR2 295/4885PLA2G4A 1094/4885OXER1 877/4885

“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.