SCHEMBL25455682

SCHEMBL25455682

CC(C)NC(CSC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
KIF11 P52732 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25453286 1.00 ACE (0.35) ACEALDH1A1MEN1LMNAKMT2A
SCHEMBL25453285 0.85 METAP2 (0.34) METAP2METAP1
SCHEMBL19544675 0.83 METAP2 (0.33) METAP2METAP1
SCHEMBL25454656 0.80 KIF11 (0.35) ACEALDH1A1METAP2METAP1FOLH1
SCHEMBL13660678 0.80 KIF11 (0.35) ACEALDH1A1METAP2METAP1FOLH1
SCHEMBL26607647 0.78 KIF11 (0.34) ACEALDH1A1METAP2METAP1FOLH1
SCHEMBL9044248 0.78 ACE (0.36) ACEALDH1A1METAP2METAP1FOLH1
SCHEMBL7615672 0.77 MAPT (0.52) ACEALDH1A1FOLH1NAALAD2MAPT
SCHEMBL25454658 0.77 METAP2 (0.34) ACEALDH1A1MEN1LMNAKMT2A
SCHEMBL12229221 0.77 MAPT (0.52) ACEALDH1A1FOLH1NAALAD2MAPT

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ACE 435/4885ALDH1A1 2185/4885MEN1 4309/4885

“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.