SCHEMBL4597368

SCHEMBL4597368

CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.59
CTSK P43235 2/20 0.59
KLK7 P49862 4/20 0.51
S1PR3 Q99500 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SCN9A Q15858 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
BACE1 P56817 2/20 0.45
PABPC1 P11940 1/20 0.44

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
SCHEMBL4597362 1.00 CTSS (0.59) CTSSCTSKKLK7S1PR3MEN1
SCHEMBL21180502 0.95 CTSS (0.56) CTSSCTSKKLK7S1PR3MEN1
SCHEMBL8338149 0.91 CTSK (0.66) CTSSCTSKKLK7S1PR3SCN9A
SCHEMBL31048635 0.91 CTSK (0.66) CTSSCTSKKLK7S1PR3SCN9A
SCHEMBL8336332 0.89 CTSS (0.60) CTSSCTSKS1PR3MEN1KMT2A
SCHEMBL8328339 0.88 CTSS (0.57) CTSSCTSKS1PR3MEN1KMT2A
SCHEMBL8334434 0.88 CTSS (0.59) CTSSCTSKS1PR3MEN1KMT2A
SCHEMBL8334410 0.88 CTSS (0.59) CTSSCTSKKLK7S1PR3MEN1
SCHEMBL8337402 0.88 CTSS (0.59) CTSSCTSKKLK7S1PR3MEN1
SCHEMBL8338474 0.88 CTSS (0.59) CTSSCTSKKLK7KMT2AHTT

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 3 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
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 CTSS 2298/4885CTSK 2622/4885KLK7 2768/4885

“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.