SCHEMBL4855353

SCHEMBL4855353

O=C(O)CCc1cc(I)ccn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.43
FFAR1 O14842 8/20 0.40
BCHE P06276 1/20 0.39
KEAP1 Q14145 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
TBXAS1 P24557 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL19013912 0.79 HPGD (0.45) FFAR1KEAP1P4HTMPLA2G10PLA2G2A
SCHEMBL12815057 0.79 KDM4E (0.50) GPR17FFAR1KEAP1
SCHEMBL2964327 0.79 FFAR1 (0.46) FFAR1TBXAS1
SCHEMBL29009956 0.79 FFAR1 (0.46) FFAR1KEAP1PLA2G10PLA2G2APLA2G5
SCHEMBL7768336 0.79 RECQL (0.47) FFAR1KEAP1P4HTMTBXAS1
SCHEMBL30405680 0.79 NR4A2 (0.49) GPR17FFAR1NR4A2
SCHEMBL31422477 0.76 FFAR1 (0.40) FFAR1KEAP1P4HTMTBXAS1
SCHEMBL2559602 0.76 FFAR1 (0.43) FFAR1KEAP1P4HTMPLA2G10PLA2G2A
SCHEMBL18534149 0.76 PLA2G10 (0.38) FFAR1KEAP1P4HTMPLA2G10PLA2G2A
SCHEMBL15160638 0.75 HDAC8 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414036-B2 Compounds useful as A3 adenosine receptor agonists MUSCAGEN LIMITED (GB) 2008-08-19 US disclosed
US-20050101551-A1 Compounds useful as A3 adenosine receptor agonists MUSCAGEN LIMITED (GB) 2005-05-12 US disclosed
WO-2005012323-A2 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS TRIGEN LIMITED (GB) 2005-02-10 WO disclosed
EP-1469864-A1 COMPOUNDS USEFUL AS A-3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2004-10-27 EP disclosed
WO-2003061670-A1 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2003-07-31 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-20050101551-A1 Compounds useful as A3 adenosine receptor agonists ADORA3, ADORA2A, ADORA2B GPR17 64/4885FFAR1 684/4885BCHE 2211/4885

“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.