SCHEMBL4242284

SCHEMBL4242284

COC(=O)c1ccc(Oc2ccc(N(Cc3ccccc3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
CCR5 P51681 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GPR119 Q8TDV5 5/20 0.48
USP30 Q70CQ3 1/20 0.48
CACNA1B Q00975 1/20 0.47
PGR P06401 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
STS P08842 1/20 0.46
SLC2A1 P11166 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL4240592 0.93 JAK2 (0.52) JAK2JAK1CCR5MEN1KMT2A
SCHEMBL4236001 0.92 GPR119 (0.52) JAK2JAK1CCR5MEN1KMT2A
SCHEMBL4242907 0.88 CCR5 (0.48) CCR5MEN1KMT2AGPR119PGR
SCHEMBL4239118 0.87 GPR119 (0.56) JAK2JAK1CCR5MEN1KMT2A
SCHEMBL4243351 0.85 MEN1 (0.52) JAK2JAK1CCR5MEN1KMT2A
SCHEMBL4309350 0.82 MEN1 (0.67) JAK2JAK1MEN1KMT2AGPR119
SCHEMBL18361357 0.82 GPR119 (0.55) MEN1KMT2AGPR119
SCHEMBL18361256 0.80 GPR119 (0.50) MEN1KMT2AGPR119USP30KDM4E
SCHEMBL4242924 0.80 GPR119 (0.48) MEN1KMT2AGPR119PGRCYP2D6
SCHEMBL4241138 0.79 CCR5 (0.64) CCR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 JAK2 2034/4885JAK1 3701/4885CCR5 1/4885

“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.