SCHEMBL6792946

SCHEMBL6792946

CCCCOc1ccc(S(=O)(=O)NCCCn2nc3c(c2C(=O)OC(=O)C(F)(F)F)CCc2cnccc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
LMNA P02545 5/20 0.34
ALDH1A1 P00352 3/20 0.34

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 SCHEMBL6792940 0.90 PTGES (0.39) CCNA2CDK2CCNA1SMN1; SMN2HTT
SCHEMBL6797954 0.89 PTGES (0.33) CCNA2CDK2CCNA1PTGESNAMPT
SCHEMBL1655634 0.87 LMNA (0.35) CCNA2CDK2CCNA1SMN1; SMN2HTT
SCHEMBL6792445 0.86
SCHEMBL6787713 0.85 L3MBTL1 (0.36) CCNA2CDK2CCNA1TSHRLMNA
SCHEMBL6788882 0.85
SCHEMBL6793383 0.84 SLC6A9 (0.34) SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL6792951 0.84 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19HPGD
SCHEMBL6791548 0.84 CYP1A2 (0.33) HTTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6793127 0.82 ALDH1A1 (0.39) SMN1; SMN2TSHRCYP2C9LMNAALDH1A1

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 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885

“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.