SCHEMBL6793383

SCHEMBL6793383

Cn1cnc(S(=O)(=O)NCCCn2nc3c(c2C(=O)OC(=O)C(F)(F)F)CCc2cnccc2-3)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.31
GAA P10253 2/20 0.30
MEN1 O00255 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
Trifluoroacetic Acid SCHEMBL6793379 0.89 SLC6A9 (0.35) SLC6A9ALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL6792445 0.87
SCHEMBL6788882 0.86
SCHEMBL6792946 0.84 CCNA2 (0.37) ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL6799128 0.84 NAMPT (0.39) ALDH1A1MAPK1SMN1; SMN2LMNAGAA
SCHEMBL6791548 0.83 CYP1A2 (0.33) ALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL6797954 0.83 PTGES (0.33)
SCHEMBL6787713 0.82 L3MBTL1 (0.36) ALDH1A1MAPK1TSHRL3MBTL1NPY5R
SCHEMBL6793611 0.81
SCHEMBL6793563 0.81

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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 SLC6A9 4846/4885ALDH1A1 4449/4885MAPK1 54/4885

“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.