Inogatran

Inogatran

SCHEMBL871973

NC(N)=NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.47
PRSS1 P07477 5/20 0.47
F10 P00742 2/20 0.43
PLG P00747 2/20 0.43
PLAT P00750 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 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
Inogatran SCHEMBL1208039 0.87 F2 (0.52) F2PRSS1F10PLGPLAT
Inogatran SCHEMBL22746 0.87 F2 (0.52) F2PRSS1F10PLGPLAT
Inogatran SCHEMBL22745 0.87 F2 (0.52) F2PRSS1F10PLGPLAT
Inogatran SCHEMBL6666022 0.86 F2 (0.51) F2PRSS1F10PLGPLAT
SCHEMBL8409263 0.85 F2 (0.45) F2PRSS1F10PLGPLAT
SCHEMBL14082058 0.76 F2 (0.62) F2PRSS1F10PLGPLAT
SCHEMBL6665350 0.73 PRCP (0.45) F2PRSS1F10PLG
SCHEMBL23793969 0.70 F2 (0.75) F2PRSS1F10PLGPLAT
SCHEMBL24322805 0.69 F2 (0.52) F2
SCHEMBL13141165 0.69 F2 (0.47) F2PRSS1F10PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 F2 107/4885PRSS1 545/4885F10 1069/4885

“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.