SCHEMBL4598149

SCHEMBL4598149

Cc1cccc([C@H](CN)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
CTSK P43235 4/20 0.43
CTSS P25774 2/20 0.43
MAPK1 P28482 2/20 0.42
S1PR4 O95977 1/20 0.42
F2 P00734 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL21901781 0.90 JAK2 (0.43) JAK2LMNAHPGDHTTNPSR1
SCHEMBL16805929 0.88 JAK2 (0.45) JAK2LMNAHPGDHTTNPSR1
SCHEMBL4597215 0.88 JAK2 (0.45) JAK2LMNAHPGDHTTNPSR1
SCHEMBL20792332 0.88 JAK2 (0.42) JAK2LMNAHPGDHTTNPSR1
SCHEMBL10256407 0.86 MAPT (0.47) JAK2LMNAHPGDHTTNPSR1
SCHEMBL4598459 0.86 CTSS (0.48) JAK2LMNAHPGDHTTNPSR1
SCHEMBL763475 0.86 CYP26A1 (0.56) JAK2LMNAHPGDHTTNPSR1
SCHEMBL4597438 0.86 CTSL (0.48) ROCK2ROCK1CTSKCTSSMAPK1
SCHEMBL17619322 0.86 JAK2 (0.44) JAK2LMNAHPGDHTTNPSR1
SCHEMBL19731347 0.86 CTSL (0.48) ROCK2ROCK1CTSKCTSSMAPK1

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 JAK2 1233/4885LMNA 4700/4885HPGD 1736/4885

“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.