SCHEMBL961973

SCHEMBL961973

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1[C@@H]1C[C@H]1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
AHR P35869 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
TBXA2R P21731 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
PHGDH O43175 5/20 0.33
KMO O15229 1/20 0.33
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 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
SCHEMBL961971 1.00 FFAR1 (0.35) FFAR1MEN1KMT2AMAPK8MAPK9
SCHEMBL4555074 0.92 GABRA1 (0.32) FFAR1
SCHEMBL967727 0.88 GABRA1 (0.33) MAPK8MAPK9AHRRXFP1PHGDH
SCHEMBL967726 0.88 GABRA1 (0.33) MAPK8MAPK9AHRRXFP1PHGDH
SCHEMBL966024 0.81 PPARG (0.38)
SCHEMBL966023 0.81 PPARG (0.38)
SCHEMBL965653 0.80 NPY5R (0.33)
SCHEMBL965655 0.80 NPY5R (0.33)
SCHEMBL4555073 0.80 GABRA1 (0.31)
SCHEMBL961862 0.75 PTGDR2 (0.48) MAPK8MAPK9OXER1KMO

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 FFAR1 219/4885MEN1 1234/4885KMT2A 1809/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG FFAR1 10/4885MEN1 4766/4885KMT2A 2017/4885

“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.