SCHEMBL968306

SCHEMBL968306

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.45
KMO O15229 4/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TBXAS1 P24557 1/20 0.39
MAPK8 P45983 2/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL963044 0.95 OXER1 (0.49) OXER1KMOPTGDR2TBXAS1MAPK8
SCHEMBL961862 0.89 PTGDR2 (0.48) OXER1KMOPTGDR2MAPK8MAPK9
SCHEMBL965783 0.88 KDM4E (0.43) GAANPC1RAB9AMAPK8MEN1
SCHEMBL964906 0.86 KMT2A (0.42) PTGDR2NPC1RAB9AMAPK8KMT2A
SCHEMBL962579 0.85 KMT2A (0.41) OXER1PTGDR2NPC1RAB9AMAPK8
SCHEMBL5120369 0.85 PHGDH (0.38) OXER1KMOPTGDR2NPC1RAB9A
SCHEMBL964505 0.84 PTGDR2 (0.39) OXER1KMOPTGDR2MAPK8MEN1
SCHEMBL964487 0.84 HTR2A (0.38) PTGDR2MAPK8KMT2AMAPK9MAPK10
SCHEMBL4553742 0.84 MAPK8 (0.37) PTGDR2NPC1RAB9AMAPK8KMT2A
SCHEMBL961662 0.84 KMT2A (0.41) OXER1KMOPTGDR2NPC1RAB9A

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 2529/4885KMO 2158/4885PTGDR2 2740/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG OXER1 877/4885KMO 2714/4885PTGDR2 295/4885

“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.