SCHEMBL30889352

SCHEMBL30889352

O=C(CC(F)(F)F)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)ccc21

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 16/20 0.80
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
PTPN7 P35236 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.55
TNF P01375 1/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 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
SCHEMBL2278070 0.89 PTPN11 (1.00) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL23217012 0.87 PTPN11 (0.75) PTPN11POLBLMNATP53TNF
SCHEMBL13536416 0.87 PTPN11 (0.83) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL12372347 0.84 PTPN11 (0.75) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL10015697 0.83 PTPN11 (0.88) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL23228857 0.82 LMNA (0.70) PTPN11POLBLMNATP53TNF
SCHEMBL23217028 0.82 LMNA (0.70) PTPN11POLBLMNATP53TNF
SCHEMBL31055560 0.82 LMNA (0.70) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL23228858 0.82 LMNA (0.70) PTPN11KDM4EALDH1A1POLBPTPN7
SCHEMBL31055559 0.82 LMNA (0.70) 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 1 patent. 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

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.