SCHEMBL4073901

SCHEMBL4073901

NP(N)(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TPSAB1 Q15661 7/20 0.46
TPSD1 Q9BZJ3 7/20 0.46
TPSG1 Q9NRR2 7/20 0.46
SRC P12931 4/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
NAMPT P43490 1/20 0.43
CTSS P25774 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
SCHEMBL4085096 1.00 HTT (0.48) HTTALDH1A1TPSAB1TPSD1TPSG1
SCHEMBL4073907 1.00 HTT (0.48) HTTALDH1A1TPSAB1TPSD1TPSG1
SCHEMBL4077352 0.80 CASP3 (0.52) ALDH1A1
SCHEMBL4077350 0.80 CASP3 (0.52) ALDH1A1
SCHEMBL4078596 0.80 CASP3 (0.52) ALDH1A1
SCHEMBL4963843 0.80 CA1 (0.42) HTTALDH1A1DDB1CRBN
SCHEMBL4074445 0.79 DPP4 (0.44)
SCHEMBL4078074 0.79 DPP4 (0.44)
SCHEMBL4074441 0.79 DPP4 (0.44)
SCHEMBL4082421 0.77 CASP3 (0.56) ALDH1A1

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-7531657-B2 Method for preparing sulphostin and analogue thereof or preparation intermediate thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-12 US disclosed
US-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-01-27 US disclosed
EP-1457494-A1 PROCESSES FOR PREPARATION OF SULPHOSTIN AND ITS ANALOGUES OR INTERMEDIATES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2004-09-15 EP 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-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof SOST, PTMS, FGF23 HTT 3685/4885ALDH1A1 3724/4885TPSAB1 372/4885

“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.