SCHEMBL3763458

SCHEMBL3763458

CC(C)(C)OC(=O)N[C@@H](CNC1CCOCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.44
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3763712 0.84 CTSS (0.45) CTSKCTSSATMKMT2AALDH1A1
SCHEMBL5575420 0.81 GPR119 (0.48) ATML3MBTL1KDM4EMAPTALDH1A1
SCHEMBL3754554 0.81 GPR119 (0.48) ATML3MBTL1KDM4EMAPTALDH1A1
SCHEMBL5391805 0.80 KLK5 (0.55) ATM
SCHEMBL5391812 0.80 KLK5 (0.55) ATM
SCHEMBL20986667 0.79 USP30 (0.46) CTSKCTSSKMT2AL3MBTL1KDM4E
SCHEMBL5576627 0.78 AAK1 (0.40) ATMKMT2AAAK1ALDH1A1LMNA
SCHEMBL3759966 0.78 CCR5 (0.40)
SCHEMBL17497818 0.78 CTSK (0.53) CTSKCTSSATMMAPTALDH1A1
SCHEMBL17497816 0.78 CTSK (0.53) CTSKCTSSATMMAPTALDH1A1

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
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CTSK 1957/4885CTSS 1961/4885ATM 4030/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CTSK 1957/4885CTSS 1961/4885ATM 4030/4885

“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.