SCHEMBL23217131

SCHEMBL23217131

O=C(O)CCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.55
HTT P42858 3/20 0.51
LMNA P02545 6/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NAMPT P43490 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL23217265 0.97 PTPN11 (0.56) PTPN11HTTLMNAMAPTGAA
Formic Acid SCHEMBL23217369 0.95 PTPN11 (0.54) PTPN11HTTLMNAMAPTGAA
SCHEMBL23217419 0.92 LMNA (0.49) PTPN11HTTLMNAMAPTGAA
SCHEMBL23217315 0.91 LMNA (0.52) PTPN11HTTLMNAMAPTGAA
SCHEMBL23217103 0.89 LMNA (0.49) PTPN11HTTLMNAMAPTGAA
SCHEMBL23217124 0.89 PTPN11 (0.49) PTPN11MAPTGAAKMT2AMEN1
SCHEMBL23217117 0.88 MAPT (0.53) PTPN11HTTLMNAMAPTGAA
SCHEMBL23217367 0.86 LMNA (0.49) PTPN11HTTLMNAMAPTGAA
SCHEMBL23228877 0.85 PTPN11 (0.53) PTPN11HTTLMNAMAPTGAA
SCHEMBL23228862 0.85 PTPN11 (0.53) PTPN11HTTLMNAMAPTGAA

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 3 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
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 3165/4885HTT 2865/4885LMNA 512/4885

“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.