SCHEMBL49084

SCHEMBL49084

N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.73
F2 P00734 11/20 0.73
F10 P00742 4/20 0.73
PLG P00747 3/20 0.73
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52

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
SCHEMBL1416490 0.91 TMPRSS11D (0.61) TMPRSS11DF2F10PLGPRSS1
SCHEMBL23135065 0.88 TMPRSS11D (0.74) TMPRSS11DF2F10PLGPRSS1
SCHEMBL13554420 0.86 TMPRSS11D (0.73) TMPRSS11DF2F10PLG
SCHEMBL12514170 0.86 TMPRSS11D (0.72) TMPRSS11DF2F10PLG
SCHEMBL12514561 0.84 TMPRSS11D (0.69) TMPRSS11DF2F10PLG
SCHEMBL7106028 0.83 TMPRSS11D (0.68) TMPRSS11DF2F10PLG
Hydrochloric Acid SCHEMBL7140902 0.82 TMPRSS11D (0.67) TMPRSS11DF2F10PLG
SCHEMBL7365085 0.81 TMPRSS11D (0.64) TMPRSS11DF2F10PLG
SCHEMBL7353953 0.81 TMPRSS11D (0.65) TMPRSS11DF2F10PLG
SCHEMBL16181254 0.81 F2 (0.52) TMPRSS11DF2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-8129547-B2 Anticoagulation of human blood ex vivo HELLSTERN PETER (DE) 2012-03-06 US disclosed
US-8129547-B2 Anticoagulation of human blood ex vivo HELLSTERN PETER (DE) 2012-03-06 US disclosed
WO-2011050270-A2 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 WO disclosed
US-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo HELLSTERN PETER 2010-11-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 TMPRSS11D 9/4885F2 145/4885F10 435/4885
US-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo F5, TFPI, F11 TMPRSS11D 496/4885F2 13/4885F10 9/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 TMPRSS11D 8/4885F2 152/4885F10 429/4885

“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.