SCHEMBL23217016

SCHEMBL23217016

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
MAPT P10636 6/20 0.58
LMNA P02545 6/20 0.58
GAA P10253 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TRPV4 Q9HBA0 1/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 1/20 0.55
PTPN11 Q06124 1/20 0.54
PAX8 Q06710 1/20 0.54
F13A1 P00488 1/20 0.53
TGM2 P21980 1/20 0.53
TGM1 P22735 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL23217034 0.91 MAPT (0.57) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL30889350 0.91 MAPT (0.57) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL23217100 0.88 MAPT (0.70) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL1870289 0.86 F13A1 (0.72) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL30889354 0.85 ALDH1A1 (0.58) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL23217102 0.85 ALDH1A1 (0.58) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL30006605 0.83 TRPV4 (0.57) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL30005853 0.83 TRPV4 (0.57) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL30005407 0.83 HTT (0.55) HTTMAPTLMNAGAASMN1; SMN2
SCHEMBL23217265 0.82 PTPN11 (0.56) HTTMAPTLMNAGAASMN1; SMN2

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 HTT 2865/4885MAPT 4754/4885LMNA 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.