SCHEMBL964410

SCHEMBL964410

CCCN(C(=O)O)S(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2ccc(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.34
CRHR1 P34998 2/20 0.33
LMNA P02545 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 0.31
MAPK10 P53779 2/20 0.31
HTR6 P50406 1/20 0.31
SLC6A2 P23975 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
CPT1A P50416 1/20 0.31
CPT1B Q92523 1/20 0.31
MAPT P10636 1/20 0.31
NR2F2 P24468 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G4A P47712 1/20 0.31
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
PIM1 P11309 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
SCHEMBL964724 0.95 KMO (0.33) KMOCRHR1LMNAPTGDR2MAPK8
SCHEMBL966868 0.93 SLC6A2 (0.35) KMOCRHR1LMNAPTGDR2MAPK8
SCHEMBL965057 0.88 PTGDR2 (0.34) CRHR1LMNAPTGDR2MAPK8MAPK9
SCHEMBL964517 0.87 NPY5R (0.35) KMOCRHR1LMNAPTGDR2
SCHEMBL967888 0.86 MAPK8 (0.34) KMOLMNAPTGDR2MAPK8MAPK9
SCHEMBL962516 0.85 IRAK4 (0.32)
SCHEMBL966069 0.84 OXER1 (0.34) LMNAPTGDR2MAPK8MAPK9MAPK10
SCHEMBL966098 0.84 OXER1 (0.34) LMNAPTGDR2MAPK8MAPK9MAPK10
SCHEMBL962091 0.84 PHGDH (0.34) LMNAPTGDR2MAPK8PLA2G4APIM1
SCHEMBL962752 0.83 PTGDR2 (0.31) LMNAPTGDR2OXER1

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 KMO 2714/4885CRHR1 780/4885LMNA 3461/4885

“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.