SCHEMBL5862690

SCHEMBL5862690

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.52
PRSS1 P07477 2/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL5862699 0.90 F2 (0.52) F2PRSS1PRSS2PRSS3
SCHEMBL24131608 0.85 F2 (0.59) F2PRSS1
SCHEMBL24131464 0.85 F2 (0.59) F2PRSS1
SCHEMBL24131389 0.85 F2 (0.59) F2PRSS1
SCHEMBL24115250 0.85 F2 (0.59) F2PRSS1
SCHEMBL5860097 0.85 F2 (0.58) F2PRSS1
SCHEMBL24115255 0.85 F2 (0.56) F2PRSS1
SCHEMBL5860154 0.84 F2 (0.60) F2PRSS1
SCHEMBL5862705 0.84 F2 (0.58) F2PRSS1
SCHEMBL7536130 0.84 F2 (0.58) F2PRSS1

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 F2 410/4885PRSS1 9/4885PRSS2 32/4885

“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.