SCHEMBL7463636

SCHEMBL7463636

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.55
F2 P00734 7/20 0.53
F10 P00742 4/20 0.53
PLG P00747 3/20 0.53
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
XIAP P98170 2/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45

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
Hydrochloric Acid SCHEMBL7156972 0.99 TMPRSS11D (0.55) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7463433 0.96 TMPRSS11D (0.51) TMPRSS11DF2F10PLGXIAP
Hydrochloric Acid SCHEMBL7156462 0.95 TMPRSS11D (0.50) TMPRSS11DF2F10PLGXIAP
SCHEMBL7105052 0.89 TMPRSS11D (0.58) TMPRSS11DF2F10PLG
SCHEMBL7106028 0.89 TMPRSS11D (0.68) TMPRSS11DF2F10PLG
Hydrochloric Acid SCHEMBL7140902 0.88 TMPRSS11D (0.67) TMPRSS11DF2F10PLG
SCHEMBL7363339 0.86 TMPRSS11D (0.49) TMPRSS11DF2F10PLGCYP3A4
Hydrochloric Acid SCHEMBL7154381 0.86 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
Hydrochloric Acid SCHEMBL7154388 0.86 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
Hydrochloric Acid SCHEMBL7156980 0.85 TMPRSS11D (0.49) TMPRSS11DF2F10PLGCYP3A4

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-0816376-B1 Trombin inhibitors as anticoagulant agents LILLY CO ELI (US) 2002-11-06 EP claimed
US-20010018423-A1 Anticoagulant agents KLIMKOWSKI VALENTINE J (US) 2001-08-30 US claimed
US-6200967-B1 USED AS THROMBIN INHIBITORS, COAGULATION INHIBITORS AND AGENTS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2001-03-13 US claimed
EP-0816376-A1 Trombin inhibitors as anticoagulant agents ELI LILLY AND COMPANY (US) 1998-01-07 EP claimed

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-20010018423-A1 Anticoagulant agents SERPINC1, F12, F11 TMPRSS11D 1128/4885F2 4/4885F10 8/4885

“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.