SCHEMBL6201855

SCHEMBL6201855

CCCCCN(C(=N)N)C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
EPHX2 P34913 1/20 0.39
ACE2 Q9BYF1 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
EPHX1 P07099 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
AKR1B1 P15121 1/20 0.33

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
SCHEMBL28897083 0.81 EPHX2 (0.41) EPHX2ACE2GPR84FFAR1MAPT
SCHEMBL1574130 0.81 EPHX2 (0.38) EPHX2ACE2GPR84FFAR1MAPT
SCHEMBL7495609 0.81 EPHX2 (0.38) EPHX2ACE2GPR84FFAR1MAPT
SCHEMBL4979255 0.81 EPHX2 (0.38) EPHX2ACE2GPR84FFAR1MAPT
SCHEMBL9151091 0.80 EPHX2 (0.43) EPHX2ACE2GPR84FFAR1MAPT
SCHEMBL9151095 0.80 EPHX2 (0.43) EPHX2ACE2GPR84FFAR1MAPT
SCHEMBL6275218 0.79 NOS2 (0.66) NOS3NOS1NOS2
SCHEMBL20521900 0.79 EPHX2 (0.43) EPHX2ACE2GPR84FFAR1MAPT
SCHEMBL29211207 0.77 EPHX2 (0.58) EPHX2GPR84FFAR1PPARD
SCHEMBL10884609 0.77 EPHX2 (0.58) EPHX2GPR84FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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 (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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI NOS3 908/4885NOS1 1514/4885NOS2 1967/4885

“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.