SCHEMBL5635255

SCHEMBL5635255

CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.57
BDKRB2 P30411 2/20 0.47
ATM Q13315 1/20 0.45
MMP9 P14780 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL5635251 1.00 AGTR2 (0.57) AGTR2BDKRB2ATMMMP9CTSL
SCHEMBL13979529 0.92 AGTR2 (0.48) AGTR2BDKRB2MMP9CTSLCTSB
SCHEMBL27224005 0.89 AGTR2 (0.59) AGTR2BDKRB2MMP9CTSLCTSB
SCHEMBL9033443 0.89 AGTR2 (0.59) AGTR2BDKRB2MMP9CTSLCTSB
SCHEMBL9603360 0.89 AGTR2 (0.59) AGTR2BDKRB2MMP9CTSLCTSB
SCHEMBL3784713 0.89 AGTR2 (0.59) AGTR2BDKRB2MMP9CTSLCTSB
SCHEMBL9033440 0.89 AGTR2 (0.59) AGTR2BDKRB2MMP9CTSLCTSB
SCHEMBL13627776 0.87 MMP9 (0.45) AGTR2BDKRB2MMP9CTSLCTSB
SCHEMBL7343429 0.87 AGTR2 (0.53) AGTR2ATM
SCHEMBL7343432 0.87 AGTR2 (0.53) AGTR2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205384-B2 Process for preparing peptidyl heterocyclic ketone derivatives ORTHO-MCNEIL PHARMACEUTICAL INC. (US) 2007-04-17 US disclosed
US-7132418-B2 Peptidyl heterocyclic ketones useful as tryptase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-11-07 US disclosed
EP-1660493-A1 PEPTIDYL HETEROCYCLIC KETONE DERIVATIVES AND PREPARATION PROCESSES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
US-20050059607-A1 Process for preparing peptidyl heterocyclic ketone derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-17 US disclosed
WO-2005023804-A1 PEPTIDYL HETEROCYCLIC KETONE DERIVATIVES AND PREPARATION PROCESSES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-17 WO 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
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 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 (2 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-20050059607-A1 Process for preparing peptidyl heterocyclic ketone derivatives CMA1, TPSB2, TPSAB1 AGTR2 344/4885BDKRB2 50/4885ATM 4254/4885
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors CMA1, TPSB2, TPSAB1 AGTR2 1175/4885BDKRB2 59/4885ATM 2756/4885

“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.