SCHEMBL5860352

SCHEMBL5860352

N=C(N)NCCCC(NC(=O)[C@@H]1CCN1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.46
▸ TPSAB1 Q15661 1/20 0.46

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
SCHEMBL7081704 0.96 F2 (0.45) —
SCHEMBL6979285 0.95 F2 (0.46) —
SCHEMBL6972556 0.89 — —
SCHEMBL18866505 0.87 F2 (0.47) —
SCHEMBL18866677 0.87 F2 (0.47) —
SCHEMBL18866494 0.87 PRSS1 (0.44) PRSS1TPSAB1
SCHEMBL22930270 0.87 PRSS1 (0.44) PRSS1TPSAB1
SCHEMBL20561207 0.87 PRSS1 (0.44) PRSS1TPSAB1
SCHEMBL18866612 0.87 PRSS1 (0.44) PRSS1TPSAB1
SCHEMBL18866601 0.85 F2 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors COSTANZO MICHAEL J (US) 2003-01-09 — — US claimed
US-6469036-B1 PREVENTION AND TREATMENT OF INFLAMMATORY DISEASES ASSOCIATED WITH THE RESPIRATORY TRACT, SUCH AS ASTHMA AND ALLERGIC RHINITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-22 — — US claimed
US-7132418-B2 Peptidyl heterocyclic ketones useful as tryptase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-11-07 — — US disclosed
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors COSTANZO MICHAEL J (US) 2003-01-09 — — US disclosed
US-6469036-B1 PREVENTION AND TREATMENT OF INFLAMMATORY DISEASES ASSOCIATED WITH THE RESPIRATORY TRACT, SUCH AS ASTHMA AND ALLERGIC RHINITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-22 — — 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-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors CMA1, TPSB2, TPSAB1 PRSS1 9/4885TPSAB1 3/4885

“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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