SCHEMBL963044

SCHEMBL963044

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 3/20 0.49
MAPK8 P45983 1/20 0.44
PPARG P37231 8/20 0.43
PPARD Q03181 5/20 0.43
KMO O15229 4/20 0.43
TBXAS1 P24557 1/20 0.42
PPARA Q07869 4/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
EGFR P00533 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL968306 0.95 OXER1 (0.45) OXER1MAPK8PPARGPPARDKMO
SCHEMBL961862 0.88 PTGDR2 (0.48) OXER1MAPK8KMOPTGDR2
SCHEMBL962579 0.87 KMT2A (0.41) OXER1MAPK8PTGDR2
SCHEMBL964906 0.85 KMT2A (0.42) MAPK8PTGDR2
SCHEMBL965783 0.85 KDM4E (0.43) MAPK8
SCHEMBL961483 0.84 HTR2A (0.37) OXER1MAPK8PTGDR2
SCHEMBL5120369 0.84 PHGDH (0.38) OXER1MAPK8KMOPTGDR2
SCHEMBL964505 0.83 PTGDR2 (0.39) OXER1MAPK8KMOPTGDR2
SCHEMBL964487 0.83 HTR2A (0.38) MAPK8PTGDR2
SCHEMBL4553742 0.83 MAPK8 (0.37) MAPK8PTGDR2

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 OXER1 2529/4885MAPK8 2053/4885PPARG 248/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG OXER1 877/4885MAPK8 2186/4885PPARG 3/4885

“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.