SCHEMBL6874294

SCHEMBL6874294

N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCN)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
ST14 Q9Y5Y6 20/20 1.00
F2 P00734 16/20 1.00
PLG P00747 16/20 1.00
PLAU P00749 16/20 1.00
TMPRSS6 Q8IU80 4/20 0.88

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
SCHEMBL12998769 0.96 F10 (1.00) F10ST14F2PLGPLAU
SCHEMBL19309580 0.96 F10 (1.00) F10ST14F2PLGPLAU
SCHEMBL8201054 0.95 F10 (1.00) F10ST14F2PLGPLAU
SCHEMBL14669479 0.94 F10 (0.92) F10ST14F2PLGPLAU
SCHEMBL8190331 0.94 F10 (1.00) F10ST14F2PLGPLAU
SCHEMBL8197768 0.92 ST14 (1.00) F10ST14F2PLGPLAU
SCHEMBL8196664 0.92 ST14 (1.00) F10ST14F2PLGPLAU
SCHEMBL14669476 0.92 F10 (1.00) F10ST14F2PLGPLAU
SCHEMBL19309685 0.92 ST14 (1.00) F10ST14F2PLGPLAU
SCHEMBL8201049 0.92 ST14 (1.00) F10ST14F2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013014074-A1 USE OF TMPRSS2 INHIBITORS AS MEDICAMENTS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-01-31 WO disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
WO-2011050270-A2 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 WO disclosed
WO-2011050276-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 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 (2 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 F10 435/4885ST14 212/4885F2 145/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 F10 429/4885ST14 178/4885F2 152/4885

“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.