SCHEMBL17381507

SCHEMBL17381507

CC(=O)O/N=C(\N)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 10/20 0.48
▸ TMPRSS6 Q8IU80 4/20 0.48
▸ F10 P00742 5/20 0.44
▸ PLG P00747 4/20 0.44
▸ KLKB1 P03952 2/20 0.44
▸ PROC P04070 1/20 0.44
▸ MASP2 O00187 2/20 0.42
▸ MMP12 P39900 1/20 0.40
▸ TMPRSS11D O60235 5/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ PSMB5 P28074 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ TMPRSS2 O15393 2/20 0.38
▸ MMP3 P08254 1/20 0.38

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
SCHEMBL17381407 0.90 F2 (0.44) F2TMPRSS6F10PLGKLKB1
SCHEMBL2562907 0.89 F2 (0.48) F2F10PLGKLKB1PROC
SCHEMBL2562905 0.89 F2 (0.48) F2F10PLGKLKB1PROC
SCHEMBL12127052 0.89 F2 (0.44) F2F10PLGKLKB1PROC
SCHEMBL17366106 0.87 F2 (0.62) F2TMPRSS6F10PLGKLKB1
SCHEMBL17381506 0.87 F2 (0.62) F2TMPRSS6F10PLGKLKB1
SCHEMBL20117449 0.84 MASP2 (0.43) F2TMPRSS6KLKB1MASP2MMP12
SCHEMBL18875515 0.81 F2 (0.45) F2TMPRSS6F10PLGKLKB1
SCHEMBL18875317 0.80 F2 (0.49) F2F10PLGKLKB1PROC
SCHEMBL17366097 0.80 F2 (0.49) F2F10PLGKLKB1PROC

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-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2017-05-25 — — US disclosed
US-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2017-05-25 — — US disclosed
WO-2015197309-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2015-12-30 — — WO 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-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE VIP, PEPD, DNPEP F2 410/4885TMPRSS6 170/4885F10 450/4885

“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.

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