SCHEMBL6778573

SCHEMBL6778573

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.60
▸ CMA1 P23946 8/20 0.52
▸ TSHR P16473 1/20 0.51
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ XIAP P98170 1/20 0.46
▸ ACE2 Q9BYF1 5/20 0.46
▸ CTRC Q99895 1/20 0.46
▸ KLK5 Q9Y337 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
SCHEMBL7370083 0.90 ACE (0.65) ACECMA1TSHRF2PRSS1
SCHEMBL25384899 0.87 ACE (0.61) ACECMA1F2PRSS1ACE2
SCHEMBL25384895 0.87 ACE (0.61) ACECMA1F2PRSS1ACE2
SCHEMBL25384891 0.87 ACE (0.61) ACECMA1F2PRSS1ACE2
SCHEMBL3692085 0.86 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL22409423 0.86 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL8378100 0.86 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL3692081 0.86 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL5900836 0.86 ACE (0.77) ACECMA1F2PRSS1ACE2
SCHEMBL5900839 0.86 ACE (0.77) ACECMA1F2PRSS1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774110-B2 ANTITHROMBOTIC ACTIVITY AND HIGH ORAL BIOAVAILABILITY; E.G. N-AMINOSULFONYL-D-DIPHENYLALANYL-L-PROLYL-((4-AMIDINOPHENYL)METHYL)AMIDE LG LIFE SCIENCES LTD. (KR) 2004-08-10 — — US disclosed
US-20020169113-A1 Orally available peptidic thrombin inhibitors LG LIFE SCIENCES LTD. (KR) 2002-11-14 — — US 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-20020169113-A1 Orally available peptidic thrombin inhibitors F2, SERPINC1, TFPI ACE 257/4885CMA1 972/4885TSHR 810/4885

“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.

Send feedback