SCHEMBL6799702

SCHEMBL6799702

CS(=O)(=O)c1cccc(-c2cc3c(cc2OC(=O)C(F)(F)F)CCc2c-3nn(CCCN)c2C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PLK1 P53350 1/20 0.31
KLKB1 P03952 1/20 0.31
FAAH O00519 2/20 0.31
KCNK3 O14649 1/20 0.31
PTGER1 P34995 3/20 0.31
PDPK1 O15530 1/20 0.30
CDK2 P24941 1/20 0.30
PIP4K2C Q8TBX8 1/20 0.30
PARP1 P09874 1/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
MCTS1 Q9ULC4 1/20 0.30
NTRK1 P04629 1/20 0.30
MET P08581 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
MAP2K2 P36507 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
SCHEMBL6792883 0.89 PLK1 (0.33) PLK1PDPK1CDK2
SCHEMBL6792282 0.89 RORC (0.34) PLK1PTGER1PDPK1CDK2
SCHEMBL6794903 0.88 PTGIR (0.35) PLK1PDPK1CDK2PARP1
SCHEMBL1655969 0.88 S1PR1 (0.37) PTGDR2PLK1KCNK3PDPK1CDK2
Trifluoroacetic Acid SCHEMBL6799698 0.88 NPC1 (0.36) NPC1RAB9AKLKB1KCNK3PDPK1
SCHEMBL1658164 0.86 PTGDR2 (0.37) PTGDR2KCNK3
SCHEMBL6791786 0.86 PLK1 (0.32) PLK1PDPK1CDK2
SCHEMBL1656590 0.85 GABRA1 (0.35) PLK1PDPK1CDK2
SCHEMBL6794069 0.85 PLK1 (0.33) PLK1PDPK1CDK2
SCHEMBL6791714 0.85 BRAF (0.36) PLK1PDPK1CDK2

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PTGDR2 440/4885NPC1 4242/4885RAB9A 2148/4885

“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.