SCHEMBL4597846

SCHEMBL4597846

CC(C)(C)OC(=O)N[C@@H](CNc1ncccn1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ACE P12821 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL17497816 0.81 CTSK (0.53) CTSKCTSSATMMAPTALDH1A1
SCHEMBL17497818 0.81 CTSK (0.53) CTSKCTSSATMMAPTALDH1A1
SCHEMBL31107757 0.81 ACE (0.49) CTSKCTSSATMACECTSL
SCHEMBL15283622 0.80 CTSK (0.55) CTSKCTSSATMMAPTCTSL
SCHEMBL4597848 0.80 SYK (0.45) CTSKCTSSATMMEN1KMT2A
SCHEMBL6568733 0.80 CTSK (0.54) CTSKCTSSATMMAPTALDH1A1
SCHEMBL1231591 0.79 CTSK (0.42) CTSKCTSSATMMAPTMEN1
SCHEMBL127326 0.78 RIPK1 (0.60) CTSKCTSSATMMAPTCTSL
SCHEMBL19517266 0.78 CTSK (0.56) CTSKCTSSATMMAPTALDH1A1
SCHEMBL3349953 0.78 RIPK1 (0.60) CTSKCTSSATMMAPTCTSL

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 CTSK 2622/4885CTSS 2298/4885ATM 3779/4885

“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.