SCHEMBL4597860

SCHEMBL4597860

Cc1nc(Sc2ccc(OCC(=O)OC(C)(C)C)cc2)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
PTPN1 P18031 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4598185 0.85 NR4A1 (0.41) GAASMN1; SMN2HPGDNPSR1MAPT
SCHEMBL14571144 0.82 NPC1 (0.41) GAAPTPN1MEN1KMT2AL3MBTL1
SCHEMBL4597297 0.81 PTPN1 (0.40) GAAPTPN1MEN1KMT2AL3MBTL1
SCHEMBL4597190 0.75 HAO1 (0.44) MAPTALDH1A1POLBLMNA
SCHEMBL4596971 0.73 CYP4F2 (0.41) GAASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL336534 0.72 KMT2A (0.51) GAAPTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL26691690 0.72 TYR (0.53) GAAPTPN1MEN1KMT2AHPGD
SCHEMBL20710996 0.72 MAPT (0.47) GAAPTPN1MEN1KMT2AHPGD
SCHEMBL4596529 0.72 TYMS (0.44) GAAL3MBTL1SMN1; SMN2HPGDNPC1
SCHEMBL4609795 0.71 ALDH1A1 (0.38) GAAMEN1KMT2ASMN1; SMN2HPGD

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 6 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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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
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 GAA 4340/4885PTPN1 1323/4885MEN1 4855/4885

“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.