SCHEMBL5845871

SCHEMBL5845871

N=C(NC(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
LMNA P02545 2/20 0.48
SRD5A2 P31213 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CTRB1 P17538 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PLAU P00749 1/20 0.46
MASP2 O00187 1/20 0.46
NPC1 O15118 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
SCHEMBL8407251 0.96 SRD5A2 (0.48) NR4A1NR4A2NR4A3LMNASRD5A2
SCHEMBL10942377 0.91 LMNA (0.59) LMNASMN1; SMN2SLC6A2SLC6A3KMT2A
SCHEMBL7450597 0.90 CTRB1 (0.49) LMNASMN1; SMN2SLC6A2SLC6A3KMT2A
SCHEMBL7442011 0.88 ALDH1A1 (0.50) LMNASMN1; SMN2SLC6A2SLC6A3KMT2A
SCHEMBL8363489 0.88 NPC1 (0.50) LMNASMN1; SMN2SLC6A2SLC6A3KMT2A
SCHEMBL6655085 0.88 PLAU (0.49) LMNASMN1; SMN2SLC6A2SLC6A3KMT2A
SCHEMBL14161303 0.87 MAPT (0.54) LMNASMN1; SMN2SLC6A2SLC6A3KMT2A
SCHEMBL28842161 0.87 PLAU (0.50) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL2771354 0.87 ENPP2 (0.52) LMNASRD5A2SMN1; SMN2SLC6A2SLC6A3
SCHEMBL7276193 0.87 LMNA (0.55) LMNASMN1; SMN2SLC6A2SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 US disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 US disclosed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0677041-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
EP-0677041-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-08-29 EP disclosed
WO-1994015913-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-21 WO disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 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-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT NR4A1 3026/4885NR4A2 3121/4885NR4A3 2541/4885
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 NR4A1 4672/4885NR4A2 4636/4885NR4A3 4299/4885

“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.