SCHEMBL5861444

SCHEMBL5861444

CS(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.58
TPSAB1 Q15661 3/20 0.58
F2 P00734 4/20 0.49
PRKD3 O94806 1/20 0.45
F10 P00742 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
F7 P08709 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 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
SCHEMBL4314345 0.90 PRSS1 (0.70) PRSS1TPSAB1F2
SCHEMBL4314363 0.90 PRSS1 (0.70) PRSS1TPSAB1F2
SCHEMBL20817059 0.90 PRSS1 (0.70) PRSS1TPSAB1F2
SCHEMBL5634902 0.90 PRSS1 (0.70) PRSS1TPSAB1F2
SCHEMBL8306067 0.90 PRSS1 (0.70) PRSS1TPSAB1F2
SCHEMBL5634690 0.90 PRSS1 (0.70) PRSS1TPSAB1F2
Sulfuric Acid SCHEMBL5045181 0.89 PRSS1 (0.67) PRSS1TPSAB1F2
SCHEMBL5862702 0.89 F2 (0.56) PRSS1TPSAB1F2
SCHEMBL5861462 0.87 PRSS1 (0.58) PRSS1TPSAB1F2PRKD3F10
Nitric Acid SCHEMBL5634066 0.87 PRSS1 (0.78) PRSS1TPSAB1F2

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 9 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
EP-1147097-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-24 EP claimed
WO-2000044733-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-03 WO 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
EP-1147097-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-24 EP disclosed
WO-2000044733-A1 PEPTIDYL HETEROCYCLIC KETONES USEFUL AS TRYPTASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-03 WO 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 3/4885F2 410/4885

“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.