SCHEMBL4082421

SCHEMBL4082421

NP(N)(=O)N1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.56
DPP4 P27487 1/20 0.48
KCNH2 Q12809 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
CASP1 P29466 1/20 0.47
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
TACR2 P21452 1/20 0.45
FKBP1A P62942 1/20 0.44
NAAA Q02083 1/20 0.44
PREP P48147 1/20 0.44

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
SCHEMBL4086471 1.00 CASP3 (0.56) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4078596 0.97 CASP3 (0.52) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4077350 0.97 CASP3 (0.52) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4077352 0.97 CASP3 (0.52) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4076570 0.92 CASP3 (0.49) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4079420 0.92 CASP3 (0.49) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4076562 0.92 CASP3 (0.49) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4968441 0.87 CASP3 (0.44) CASP3DPP4KCNH2DPP7CASP1
SCHEMBL4086459 0.85 NAAA (0.48) DPP4KCNH2DPP7CASP1TSHR
SCHEMBL4085107 0.85 NAAA (0.48) DPP4KCNH2DPP7CASP1TSHR

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 7 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
EP-1489088-B1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE NIPPON KAYAKU KK (JP) 2008-08-13 EP disclosed
US-7348318-B2 α-Amino-N-(diaminophosphinyl)lactam derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-03-25 US disclosed
US-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-07-28 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-1489088-A1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE Nippon Kayaku Kabushiki Kaisha (JP) 2004-12-22 EP 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 (2 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 CASP3 535/4885DPP4 987/4885KCNH2 4007/4885
US-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative DNPEP, PEPD, ANPEP CASP3 1464/4885DPP4 8/4885KCNH2 3622/4885

“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.