SCHEMBL4598459

SCHEMBL4598459

CC(C)(C)OC(=O)N[C@@H](CN)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
JAK2 O60674 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 2/20 0.44
CNR2 P34972 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43

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
SCHEMBL27545803 0.90 CTSS (0.48) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL4608845 0.88 ALDH1A1 (0.49) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL14638888 0.88 ALDH1A1 (0.49) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL666770 0.88 ALDH1A1 (0.49) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL14639327 0.87 CTSS (0.48) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL29833640 0.86 CTSK (0.46) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL6259288 0.86 CYP26A1 (0.57) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL6090554 0.86 ROCK2 (0.49) CTSSCTSKALDH1A1NPSR1JAK2
SCHEMBL22321387 0.86 PNMT (0.51) CTSSCTSKALDH1A1NPSR1HTT
SCHEMBL13743049 0.86 CTSS (0.47) CTSSCTSKALDH1A1NPSR1JAK2

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 2622/4885ALDH1A1 3484/4885

“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.