SCHEMBL48899

SCHEMBL48899

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA4 P22748 5/20 0.38
CA6 P23280 5/20 0.38
CA5A P35218 5/20 0.38
CA7 P43166 5/20 0.38
CA9 Q16790 5/20 0.38
CA13 Q8N1Q1 5/20 0.38
CA14 Q9ULX7 5/20 0.38
CA5B Q9Y2D0 5/20 0.38
CA3 P07451 4/20 0.38
F10 P00742 4/20 0.37
PRSS1 P07477 2/20 0.37
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
PLG P00747 1/20 0.33
C1S P09871 1/20 0.33
TPSAB1 Q15661 1/20 0.33
NPY1R P25929 2/20 0.33

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
SCHEMBL48888 0.80 TMPRSS11D (0.44) F10PLG
SCHEMBL49083 0.75 TMPRSS11D (0.49) F10PRSS1ITGB3ITGA2BPLG
SCHEMBL28848539 0.74 MMP2 (0.46) CA12CA1CA2NPY1RNPY2R
SCHEMBL28848545 0.71 NPY4R (0.55) NPY1RNPY2RNPY4RNPY5R
SCHEMBL31122216 0.71 OPRD1 (0.49) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29630726 0.69 OPRD1 (0.51) NPY1RNPY2RNPY4RNPY5R
SCHEMBL7530381 0.69 MMP2 (0.48) NPY1RNPY2RNPY4RNPY5R
SCHEMBL7530376 0.69 MMP2 (0.48) NPY1RNPY2RNPY4RNPY5R
SCHEMBL7416564 0.69 MMP2 (0.48) NPY1RNPY2RNPY4RNPY5R
SCHEMBL6864434 0.69 HPGD (0.46) ITGB3ITGA2BNPY1RNPY2RNPY4R

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 CA12 117/4885CA1 76/4885CA2 28/4885

“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.