SCHEMBL23217102

SCHEMBL23217102

O=C(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)NO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 6/20 0.58
MAPT P10636 6/20 0.58
GAA P10253 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HTT P42858 3/20 0.55
KDM4E B2RXH2 3/20 0.54
TRPV4 Q9HBA0 1/20 0.54
MEN1 O00255 2/20 0.52
PTPN11 Q06124 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL30889354 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL30889350 0.88 MAPT (0.57) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL23217034 0.88 MAPT (0.57) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL23217010 0.86 MAPT (0.57) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL23217100 0.86 MAPT (0.70) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL23217103 0.86 LMNA (0.49) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL23217419 0.85 LMNA (0.49) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL23217016 0.85 HTT (0.60) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL1870289 0.83 F13A1 (0.72) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL30006605 0.83 TRPV4 (0.57) ALDH1A1LMNAMAPTGAAKMT2A

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 ALDH1A1 3931/4885LMNA 512/4885MAPT 4754/4885

“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.