SCHEMBL23217181

SCHEMBL23217181

O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Br)c4)CC3)ccc21

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 16/20 0.82
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
POLB P06746 1/20 0.72
PTPN7 P35236 1/20 0.72
CYP2C9 P11712 1/20 0.67

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
SCHEMBL2274512 0.90 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2279217 0.90 PTPN11 (1.00) PTPN11
SCHEMBL23228859 0.89 USP2 (0.72) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2280568 0.89 PTPN11 (0.82) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2274367 0.89 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2276350 0.87 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2277226 0.86 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL23217307 0.85 TNF (0.70) PTPN11POLB
SCHEMBL2276926 0.85 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL2280039 0.85 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7

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 3165/4885KDM4E 2296/4885ALDH1A1 3931/4885

“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.