SCHEMBL4628386

SCHEMBL4628386

CCCCN(CC(=O)O)C(=N)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALDH2 P05091 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL4629114 0.94 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2903323 0.93 GPR84 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2105502 0.93 GPR84 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4628210 0.88 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acetic Acid SCHEMBL5691681 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27867568 0.82 PRSS1 (0.37) NOS3NOS1NOS2GPR84TSHR
SCHEMBL1793107 0.81 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1507407 0.81 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL938369 0.79 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acetic Acid SCHEMBL30633655 0.79 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP disclosed
US-7282520-B2 External preparation LION CORPORATION (JP) 2007-10-16 US disclosed
EP-1437119-B1 EXTERNAL PREPARATION CONTAIINING GALLIC ACID DERIVATIVES LION CORP (JP) 2007-08-15 EP disclosed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US disclosed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP disclosed
EP-1437119-A1 EXTERNAL PREPARATION Lion Corporation (JP) 2004-07-14 EP disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO disclosed
US-6245743-B1 ADMINISTERING ARGININE-CONTAINING OLIGOPEPTIDE AS ANTICOAGULANT; CARDIOVASCULAR DISORDERS COR THERAPEUTICS, INC. 2001-06-12 US disclosed
US-5919765-A USING A (DI- OR TRI)PEPTIDES COR THERAPEUTICS, INC. (US) 1999-07-06 US disclosed
EP-0846125-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1998-06-10 EP disclosed
EP-0832102-A1 KETOHETEROCYCLIC INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1998-04-01 EP disclosed
US-5721214-A PEPTIDE ANTICOAGULANTS COR THERAPEUTICS, INC. (US) 1998-02-24 US disclosed
WO-1996040743-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1996-12-19 WO disclosed
WO-1996040744-A1 KETOHETEROCYCLIC INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1996-12-19 WO disclosed
US-3972872-A BACTERICIDE, ANIMAL FEED SUPPLEMENT PFIZER INC. (US) 1976-08-03 US disclosed
US-3933797-A 6-[α-(ω-QUANIDINOALKANOYLAMIDO)ACYLAMIDO]PENICILLANIC ACIDS PFIZER INC. (US) 1976-01-20 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 (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-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 GRIN2D 4863/4885GRIN3B 4414/4885GRIN1 4714/4885

“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.