SCHEMBL23217375

SCHEMBL23217375

O=C(CCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 1/20 0.46
EPHX2 P34913 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
PTPN11 Q06124 1/20 0.42
PTGDR Q13258 1/20 0.42

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
SCHEMBL23217124 0.92 PTPN11 (0.49) NAMPTCA1CA2CA7EPHX2
SCHEMBL23217109 0.89 NAMPT (0.47) NAMPTCA1CA2CA7EPHX2
SCHEMBL23217419 0.89 LMNA (0.49) NAMPTCA1CA2CA7MAPT
SCHEMBL23217103 0.87 LMNA (0.49) NAMPTCA1CA2CA7MAPT
SCHEMBL23217303 0.87 NAMPT (0.44) NAMPTCA1CA2CA7EPHX2
SCHEMBL23217370 0.84 CA1 (0.47) NAMPTCA1CA2CA7EPHX2
SCHEMBL23217131 0.81 PTPN11 (0.55) NAMPTCA1CA2CA7MAPT
SCHEMBL25381894 0.80 MAPT (0.66) EPHX2MAPTALDH1A1KDM4EMEN1
SCHEMBL30563199 0.80 MAPT (0.66) EPHX2MAPTALDH1A1KDM4EMEN1
SCHEMBL23217373 0.79 EPHX2 (0.47) NAMPTCA1CA2CA7EPHX2

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 2 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

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 NAMPT 1265/4885CA1 1483/4885CA2 997/4885

“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.