SCHEMBL964517

SCHEMBL964517

Cc1nn(C)c(-n2ccc3ccc(Cl)cc32)c1CCS(=O)(=O)N(CC1CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.35
KMO O15229 3/20 0.33
F10 P00742 5/20 0.32
FPR2 P25090 4/20 0.31
PROKR1 Q8TCW9 4/20 0.31
CRHR1 P34998 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL964464 0.93 NPY5R (0.35) NPY5RF10FPR2PROKR1CRHR1
SCHEMBL964410 0.87 KMO (0.34) KMOCRHR1PTGDR2LMNA
SCHEMBL964724 0.86 KMO (0.33) KMOCRHR1PTGDR2LMNA
SCHEMBL966059 0.85 IRAK4 (0.35) F10CRHR1
SCHEMBL967888 0.82 MAPK8 (0.34) KMOPTGDR2LMNA
SCHEMBL966868 0.81 SLC6A2 (0.35) KMOCRHR1PTGDR2LMNA
SCHEMBL967867 0.80 PHGDH (0.35) PTGDR2LMNA
SCHEMBL963395 0.80 KMT2A (0.37) PTGDR2
SCHEMBL5115435 0.80 KMO (0.38) KMOPTGDR2LMNA
SCHEMBL963617 0.80 FBP1 (0.39) NPY5RF10

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPY5R 764/4885KMO 2714/4885F10 4223/4885

“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.