SCHEMBL10058308

SCHEMBL10058308

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(=O)O)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS11D O60235 11/20 0.52
▸ F2 P00734 4/20 0.52
▸ F10 P00742 4/20 0.52
▸ PLG P00747 3/20 0.52
▸ ACE P12821 3/20 0.49
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43

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
SCHEMBL12968487 0.90 TMPRSS11D (0.53) TMPRSS11DF2F10PLGACE
SCHEMBL10058303 0.90 TMPRSS11D (0.55) TMPRSS11DF2F10PLGACE
SCHEMBL10058135 0.87 TMPRSS11D (0.51) TMPRSS11DF2F10PLGACE
SCHEMBL15139664 0.81 ACE (0.51) TMPRSS11DF2F10PLGACE
SCHEMBL15139686 0.81 TMPRSS11D (0.50) TMPRSS11DF2F10PLGACE
SCHEMBL12968535 0.81 ALDH1A1 (0.60) ACEALDH1A1ACE2ITGB3ITGA2B
SCHEMBL19390410 0.80 TMPRSS11D (0.50) TMPRSS11DF2F10PLGACE
SCHEMBL19390241 0.80 ACE (0.53) TMPRSS11DACELMNAACE2
SCHEMBL12968410 0.80 TMPRSS11D (0.59) TMPRSS11DF2F10PLGACE
SCHEMBL15251707 0.79 FKBP1A (0.52) TMPRSS11DF2F10PLGACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 — — EP disclosed
US-8497245-B2 Trypsin-like serine protease inhibitors, their preparation and use as selective inhibitors of the clotting factors IIa and Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-30 — — US disclosed
US-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-10-04 — — US disclosed
WO-2012083436-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-28 — — 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 (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-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA F2, F12, SERPINC1 TMPRSS11D 49/4885F2 1/4885F10 21/4885

“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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