SCHEMBL4991853

SCHEMBL4991853

N[C@H]1CCCN(P(N)(N)=O)C1=O.O=C(O)C(O)(C(=O)c1ccccc1)C(O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MCL1 Q07820 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL4967260 0.79 DPP4 (0.37) DPP4CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL4991856 0.78 TP53 (0.49) DPP4ALDH1A1MEN1KMT2ARECQL
SCHEMBL4965369 0.77 DPP4 (0.78) DPP4MAPTTDP1
SCHEMBL4965090 0.77 DPP4 (0.78) DPP4MAPTTDP1
SCHEMBL4967906 0.77 DPP4 (0.55) DPP4ALDH1A1HTTPREPFAP
Hydrochloric Acid SCHEMBL387480 0.76 DPP4 (0.75) DPP4MAPTTDP1
Hydrochloric Acid SCHEMBL387479 0.76 DPP4 (0.75) DPP4MAPTTDP1
SCHEMBL4966964 0.75 DPP4 (0.47) DPP4ALDH1A1HTTPREPFAP
SCHEMBL4963520 0.73 DPP4 (0.75) DPP4ALDH1A1MAPTTDP1
SCHEMBL4964366 0.73 DPP4 (0.75) DPP4ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 DPP4 8/4885ALDH1A1 1438/4885HTT 4805/4885

“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.