SCHEMBL3859569

SCHEMBL3859569

N[C@@H](CC(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.55
GRM8 O00222 4/20 0.53
GRM4 Q14833 4/20 0.53
GRM6 O15303 3/20 0.52
ACP3 P15309 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
CYP26A1 O43174 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
SCHEMBL666885 1.00 KMO (0.55) KMOGRM8GRM4GRM6ACP3
SCHEMBL16293830 1.00 KMO (0.55) KMOGRM8GRM4GRM6ACP3
SCHEMBL3310878 1.00 KMO (0.55) KMOGRM8GRM4GRM6ACP3
Hydrochloric Acid SCHEMBL3812830 0.98 KMO (0.53) KMOGRM8GRM4GRM6ACP3
Hydrochloric Acid SCHEMBL3812833 0.98 KMO (0.53) KMOGRM8GRM4GRM6ACP3
SCHEMBL9263216 0.88 TSHR (0.51) KMOGRM8GRM4GRM6ACP3
SCHEMBL666558 0.85 GRM8 (0.54) KMOGRM8GRM4GRM6ACP3
SCHEMBL16933041 0.84 ACP3 (0.54) KMOGRM8GRM4GRM6ACP3
SCHEMBL665345 0.83 MEN1 (0.51) KMOGRM8GRM4GRM6SMN1; SMN2
SCHEMBL8297473 0.83 MEN1 (0.51) KMOGRM8GRM4GRM6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
CN-101389613-B Macrocyclic factor viia inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO 2011-10-12 CN disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
CN-101389613-A Macrocyclic factor viia inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO (US) 2009-03-18 CN disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
CN-1146541-C Beta-alanine derivatives Ĭ��ר���ɷ����޹�˾ 2004-04-21 CN disclosed
US-6576637-B1 Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, MERCK PATENT GMBH (DE) 2003-06-10 US disclosed
CN-1340046-A Beta-alanine derivatives MERCK PATENT GMBH (DE) 2002-03-13 CN 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 KMO 2667/4885GRM8 4078/4885GRM4 4601/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 KMO 2667/4885GRM8 4078/4885GRM4 4601/4885

“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.