SCHEMBL6920252

SCHEMBL6920252

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.56
▸ ACE P12821 3/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ F2 P00734 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ FKBP1A P62942 1/20 0.46
▸ CMA1 P23946 10/20 0.45
▸ ELANE P08246 1/20 0.43
▸ DPP4 P27487 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
SCHEMBL6078759 0.92 ACE (0.61) KLK5ACEF2PRSS1CMA1
SCHEMBL6078614 0.92 ACE (0.61) KLK5ACEF2PRSS1CMA1
SCHEMBL12658455 0.87 KLK5 (0.69) KLK5ACEF2PRSS1CMA1
SCHEMBL28002552 0.87 KLK5 (0.69) KLK5ACEF2PRSS1CMA1
SCHEMBL28002546 0.87 KLK5 (0.69) KLK5ACEF2PRSS1CMA1
SCHEMBL7268512 0.87 KLK5 (0.69) KLK5ACEF2PRSS1CMA1
SCHEMBL24447150 0.83 F2 (0.56) ACEF2PRSS1CMA1
SCHEMBL16706511 0.83 F2 (0.56) ACEF2PRSS1CMA1
SCHEMBL28394567 0.83 F2 (0.56) ACEF2PRSS1CMA1
SCHEMBL30192889 0.83 KLK5 (0.52) KLK5ACEF2PRSS1CMA1

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 KLK5 520/4885ACE 387/4885NPC1 2347/4885

“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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