SCHEMBL4085115

SCHEMBL4085115

NP(N)(=O)N1CC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
TSHR P16473 1/20 0.48
PREP P48147 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
CPB1 P15086 1/20 0.44
DPP4 P27487 3/20 0.43
DPP7 Q9UHL4 3/20 0.43
CASP1 P29466 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4086459 1.00 NAAA (0.48) NAAATSHRPREPALDH1A1GAA
SCHEMBL4085107 1.00 NAAA (0.48) NAAATSHRPREPALDH1A1GAA
SCHEMBL11022850 0.89 NAAA (0.49) NAAATSHRPREPALDH1A1GAA
SCHEMBL11022846 0.89 NAAA (0.49) NAAATSHRPREPALDH1A1GAA
SCHEMBL4079420 0.88 CASP3 (0.49) NAAATSHRPREPALDH1A1GAA
SCHEMBL4076562 0.88 CASP3 (0.49) NAAATSHRPREPALDH1A1GAA
SCHEMBL4076570 0.88 CASP3 (0.49) NAAATSHRPREPALDH1A1GAA
SCHEMBL4078596 0.86 CASP3 (0.52) NAAATSHRPREPALDH1A1GAA
SCHEMBL4077352 0.86 CASP3 (0.52) NAAATSHRPREPALDH1A1GAA
SCHEMBL4077350 0.86 CASP3 (0.52) NAAATSHRPREPALDH1A1GAA

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 NAAA 3150/4885TSHR 825/4885PREP 1007/4885

“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.