SCHEMBL23217271

SCHEMBL23217271

CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.80
NOD2 Q9HC29 3/20 0.80
NOD1 Q9Y239 3/20 0.80
PTPN11 Q06124 4/20 0.74
TP53 P04637 3/20 0.72
MAPK1 P28482 1/20 0.69
LMNA P02545 2/20 0.68
POLB P06746 2/20 0.68
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64

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
SCHEMBL23217118 0.92 TNF (0.68) TNFNOD2NOD1PTPN11TP53
SCHEMBL23217195 0.90 TNF (0.71) TNFNOD2NOD1PTPN11LMNA
SCHEMBL23217304 0.89 TNF (0.71) TNFNOD2NOD1PTPN11MAPK1
SCHEMBL17225898 0.89 PTPN11 (0.80) PTPN11
SCHEMBL23217307 0.88 TNF (0.70) TNFNOD2NOD1PTPN11MAPK1
SCHEMBL23217035 0.88 TNF (0.75) TNFNOD2NOD1PTPN11TP53
SCHEMBL23217306 0.87 TNF (0.74) TNFNOD2NOD1PTPN11TP53
SCHEMBL23217301 0.87 PTPN11 (0.67) TNFNOD2NOD1PTPN11LMNA
SCHEMBL23217031 0.87 TNF (0.67) TNFNOD2NOD1PTPN11TP53
SCHEMBL12372326 0.86 PTPN11 (0.83) PTPN11TP53POLBALDH1A1

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 TNF 4748/4885NOD2 1295/4885NOD1 1760/4885

“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.