SCHEMBL4968441

SCHEMBL4968441

NP(N)(=O)N1CCC[C@H](NC(=O)OCc2ccccc2Cc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
CASP1 P29466 2/20 0.42
NAAA Q02083 1/20 0.40
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TSHR P16473 1/20 0.38
CTSK P43235 3/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
F2 P00734 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL4077352 0.90 CASP3 (0.52) CASP3CASP1NAAADPP4KCNH2
SCHEMBL4077350 0.90 CASP3 (0.52) CASP3CASP1NAAADPP4KCNH2
SCHEMBL4078596 0.90 CASP3 (0.52) CASP3CASP1NAAADPP4KCNH2
SCHEMBL4968959 0.88 NAAA (0.41) CASP3CASP1NAAADPP4
SCHEMBL4086471 0.87 CASP3 (0.56) CASP3CASP1NAAADPP4KCNH2
SCHEMBL4082421 0.87 CASP3 (0.56) CASP3CASP1NAAADPP4KCNH2
SCHEMBL4967287 0.86 NAAA (0.40) CASP3CASP1NAAADPP4KCNH2
SCHEMBL4964953 0.86 CASP3 (0.38) CASP3CASP1NAAA
SCHEMBL4964957 0.85 NAAA (0.40) CASP3CASP1NAAAMMEACE
SCHEMBL4966416 0.83 NAAA (0.40) CASP3CASP1NAAADPP4KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1489088-A1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE Nippon Kayaku Kabushiki Kaisha (JP) 2004-12-22 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-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative DNPEP, PEPD, ANPEP CASP3 1464/4885CASP1 1060/4885NAAA 57/4885

“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.