SCHEMBL5075309

SCHEMBL5075309

CC(C(=O)O)C(Cc1ccc(N)nc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 11/20 0.76
CPA1 P15085 2/20 0.54
GABRP O00591 2/20 0.53
GABRD O14764 2/20 0.53
GABRA1 P14867 2/20 0.53
GABRB1 P18505 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
GABRB2 P47870 2/20 0.53
GABRA4 P48169 2/20 0.53
GABRE P78334 2/20 0.53
GABRA6 Q16445 2/20 0.53
GABRG1 Q8N1C3 2/20 0.53
GABRG3 Q99928 2/20 0.53
GABRQ Q9UN88 2/20 0.53
CPB1 P15086 10/20 0.51

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
SCHEMBL4012774 0.87 CPB2 (1.00) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4002365 0.87 CPB2 (1.00) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4005719 0.87 CPB2 (1.00) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL18057309 0.83 CPB2 (0.68) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4009716 0.81 CPB2 (0.75) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL5079022 0.80 CPB2 (0.65) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL26008176 0.78 CPB2 (0.63) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL15314368 0.78 CPB2 (0.63) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4629770 0.78 CPB2 (0.63) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL5073961 0.77 CPB2 (0.61) CPB2CPA1GABRPGABRDGABRA1

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-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US claimed
US-7423012-B2 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-7354895-B1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20060079484-A1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors LINSCHOTEN MARCEL 2006-04-13 US disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
CN-1358187-A New compounds ASTRAZENECA AB (SE) 2002-07-10 CN disclosed
EP-1180099-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066550-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 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 (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-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor BPGM, PLG, FGB CPB2 47/4885CPA1 331/4885GABRP 162/4885
US-20060079484-A1 Phosphinyloxy, oxime and carboxylic acid derivatives which are useful as carboxypeptidase U inhibitors CPN1, CPA1, DNPEP CPB2 9/4885CPA1 2/4885GABRP 2445/4885

“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.