SCHEMBL4240714

SCHEMBL4240714

COC(=O)c1ccc(C(O)c2ccc(NC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
ALDH1A1 P00352 2/20 0.71
NPC1 O15118 1/20 0.71
MAPK1 P28482 1/20 0.71
HTT P42858 1/20 0.71
RAB9A P51151 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
CNR1 P21554 1/20 0.47
GPR119 Q8TDV5 5/20 0.46
EED O75530 1/20 0.45
RBBP4 Q09028 1/20 0.45
SUZ12 Q15022 1/20 0.45
EZH2 Q15910 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
SCHEMBL4243494 0.92 ALDH1A1 (0.76) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL18361380 0.88 ALDH1A1 (0.69) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL4236012 0.87 ALDH1A1 (0.75) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL11027782 0.87 ALDH1A1 (0.67) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL4240078 0.86 ALDH1A1 (0.67) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL7385548 0.83 ALDH1A1 (1.00) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL17832684 0.82 ALDH1A1 (0.73) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL14467294 0.81 ALDH1A1 (0.66) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL23095887 0.81 ALDH1A1 (0.72) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL6154407 0.81 ALDH1A1 (0.72) MAPTALDH1A1NPC1MAPK1HTT

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 MAPT 3843/4885ALDH1A1 3358/4885NPC1 542/4885

“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.