SCHEMBL964505

SCHEMBL964505

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1COCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
OXER1 Q8TDS5 2/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
POLB P06746 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
KMO O15229 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GALR3 O60755 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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 0.86 PTGDR2 (0.48) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL964693 0.84 MAPK8 (0.38) PTGDR2MAPK8MAPK9MAPK10HTT
SCHEMBL968306 0.84 OXER1 (0.45) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL963044 0.83 OXER1 (0.49) PTGDR2OXER1MAPK8KMO
SCHEMBL961662 0.81 KMT2A (0.41) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL965765 0.81 PPARG (0.39) OXER1MAPK8MAPK9MAPK10
SCHEMBL962478 0.80 MAPK8 (0.38) MAPK8MAPK9MAPK10MCHR1MAP4K4
SCHEMBL4554736 0.80 PTGDR2 (0.44) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL5120369 0.80 PHGDH (0.38) PTGDR2OXER1MAPK8MAPK9MAPK10
SCHEMBL963703 0.80 PTGDR2 (0.37) 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 2 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
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 2740/4885OXER1 2529/4885SLC16A3 91/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PTGDR2 295/4885OXER1 877/4885SLC16A3 684/4885

“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.