SCHEMBL7065314

SCHEMBL7065314

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CN1CCC[C@H]1C(=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.49
CTSL P07711 2/20 0.46
ALDH1A1 P00352 1/20 0.44
CTSS P25774 2/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
AKT1 P31749 1/20 0.44
CMA1 P23946 4/20 0.43
F2 P00734 2/20 0.43
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
KLK5 Q9Y337 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6927990 0.94 ACE (0.43) ACECTSLALDH1A1CTSSCTSB
SCHEMBL7374631 0.84 F2 (0.51) ALDH1A1F2MAPK1F10PRSS1
SCHEMBL7381541 0.84 F2 (0.49) ALDH1A1F2MAPK1F10PRSS1
SCHEMBL7065318 0.83 F2 (0.57) ACEALDH1A1CMA1F2F10
SCHEMBL7377365 0.82 F2 (0.49) ALDH1A1F2MAPK1F10PRSS1
SCHEMBL7380524 0.82 F2 (0.53) ALDH1A1F2MAPK1F10PRSS1
SCHEMBL7452387 0.82 F2 (0.52) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL7378516 0.82 ALDH1A1 (0.47) ALDH1A1F2MAPK1F10PRSS1
SCHEMBL7371988 0.81 F2 (0.47) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6428584 0.80 TSHR (0.46) ACECMA1F2KMT2AMAPK1

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI ACE 387/4885CTSL 199/4885ALDH1A1 4773/4885

“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.