SCHEMBL4597215

SCHEMBL4597215

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.44
RIPK1 Q13546 1/20 0.44
CYP26A1 O43174 1/20 0.41
S1PR4 O95977 1/20 0.40
F2 P00734 1/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL16805929 1.00 JAK2 (0.45) JAK2LMNAHPGDHTTNPSR1
SCHEMBL17619322 0.90 JAK2 (0.44) JAK2LMNAHPGDHTTNPSR1
SCHEMBL4598149 0.88 JAK2 (0.47) JAK2LMNAHPGDHTTNPSR1
SCHEMBL16479638 0.87 NPSR1 (0.43) JAK2LMNAHPGDHTTNPSR1
SCHEMBL763475 0.87 CYP26A1 (0.56) JAK2LMNAHPGDHTTNPSR1
SCHEMBL29840672 0.86 CTSL (0.50) NPSR1ALDH1A1CTSKCTSSRIPK1
SCHEMBL16690741 0.86 CTSL (0.50) NPSR1ALDH1A1CTSKCTSSRIPK1
SCHEMBL5575604 0.86 CTSL (0.50) NPSR1ALDH1A1CTSKCTSSRIPK1
SCHEMBL4597970 0.86 CTSL (0.50) NPSR1ALDH1A1CTSKCTSSRIPK1
SCHEMBL15245054 0.86 CTSK (0.44) CTSKCTSSRIPK1ROCK2GABRB1

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.