SCHEMBL48888

SCHEMBL48888

N=C(N)NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1ccc(C(=N)N)cc1S(=O)(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.44
F2 P00734 7/20 0.44
F10 P00742 3/20 0.44
PLG P00747 3/20 0.44
FKBP1A P62942 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL48899 0.80 CA12 (0.38) F10PLG
SCHEMBL1416490 0.79 TMPRSS11D (0.61) TMPRSS11DF2F10PLG
SCHEMBL2997234 0.79 DPP4 (0.47) F2FKBP1ADPP4DPP8DPP9
SCHEMBL31206155 0.74 OPRM1 (0.54) F2PLG
SCHEMBL49084 0.74 TMPRSS11D (0.73) TMPRSS11DF2F10PLG
SCHEMBL7343548 0.73 DPP4 (0.53) F2FKBP1ADPP4DPP8DPP9
SCHEMBL7343558 0.73 DPP4 (0.53) F2FKBP1ADPP4DPP8DPP9
Sulfuric Acid SCHEMBL9733221 0.72 DPP4 (0.45) F2F10PLGDPP4DPP8
SCHEMBL10901745 0.72 OPRM1 (0.51) F2
SCHEMBL6850160 0.71 F2 (0.57) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129547-B2 Anticoagulation of human blood ex vivo HELLSTERN PETER (DE) 2012-03-06 US disclosed
US-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo HELLSTERN PETER 2010-11-04 US disclosed
EP-1973929-B1 ANTICOAGULATION OF HUMAN BLOOD EX VIVO HELLSTERN PETER (DE) 2010-09-29 EP disclosed
EP-1973929-A2 ANTICOAGULATION OF HUMAN BLOOD EX VIVO Hellstern, Peter (DE) 2008-10-01 EP disclosed
WO-2007085461-A2 ANTICOAGULATION OF HUMAN BLOOD EX VIVO STÜRZEBECHER, Uta (DE) 2007-08-02 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-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo F5, TFPI, F11 TMPRSS11D 496/4885F2 13/4885F10 9/4885

“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.