SCHEMBL23217124

SCHEMBL23217124

O=C(O)CCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.49
NAMPT P43490 2/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 1/20 0.47
PTGDR Q13258 1/20 0.47
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
F13A1 P00488 2/20 0.43
TGM2 P21980 2/20 0.43
TGM1 P22735 2/20 0.43

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
SCHEMBL23217375 0.92 NAMPT (0.47) PTPN11NAMPTCA1CA2CA7
SCHEMBL23217109 0.91 NAMPT (0.47) PTPN11NAMPTCA1CA2CA7
SCHEMBL23217131 0.89 PTPN11 (0.55) PTPN11NAMPTCA1CA2CA7
SCHEMBL23217265 0.86 PTPN11 (0.56) PTPN11NAMPTCA1CA2CA7
SCHEMBL23217370 0.85 CA1 (0.47) NAMPTCA1CA2CA7PTGDR
SCHEMBL23217303 0.85 NAMPT (0.44) NAMPTCA1CA2CA7PTGDR
Formic Acid SCHEMBL23217369 0.84 PTPN11 (0.54) PTPN11NAMPTCA1CA2CA7
SCHEMBL25381894 0.81 MAPT (0.66) EPHX2ALDH1A1MAPTKDM4EMEN1
SCHEMBL30563199 0.81 MAPT (0.66) EPHX2ALDH1A1MAPTKDM4EMEN1
SCHEMBL23217419 0.81 LMNA (0.49) PTPN11NAMPTCA1CA2CA7

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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO 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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 PTPN11 3165/4885NAMPT 1265/4885CA1 1483/4885

“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.