SCHEMBL4596546

SCHEMBL4596546

Cc1nc(Oc2ccc(C#N)cc2F)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.37
SLC22A12 Q96S37 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 1/20 0.35
USP30 Q70CQ3 1/20 0.34
EPAS1 Q99814 1/20 0.34
MAPK14 Q16539 2/20 0.34
AR P10275 3/20 0.34
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL5576516 0.87 AR (0.40) MAP4K4AR
SCHEMBL4597573 0.81 GHSR (0.43) MAP4K4MAPK14BRD4
SCHEMBL4596118 0.79 MAP4K4 (0.51) MAP4K4
SCHEMBL16415691 0.78 CYP11B1 (0.40) SLC22A12GPR119CYP11B1CYP11B2USP30
SCHEMBL2230813 0.76 AR (0.40) SLC22A12USP30EPAS1AR
SCHEMBL4597712 0.75 HRH3 (0.44) MAP4K4SLC22A12CYP11B1CYP11B2AR
SCHEMBL2995303 0.74 CA1 (0.39) SLC22A12CYP11B1CYP11B2USP30AR
SCHEMBL3697965 0.73 ESRRA (0.44) SLC22A12CYP11B1CYP11B2USP30EPAS1
SCHEMBL124629 0.73 RAD51 (0.42)
SCHEMBL29956507 0.73 RAD51 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAP4K4 940/4885SLC22A12 1691/4885GPR119 229/4885

“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.