SCHEMBL4596971

SCHEMBL4596971

COC(=O)Cc1ccc(Sc2ccc(C=O)c(C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.40
TLR7 Q9NYK1 7/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GLO1 Q04760 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GFER P55789 1/20 0.38
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL4596630 0.86 CYP26A1 (0.40) GAAHPGDALDH1A1
SCHEMBL4597157 0.81 ALDH1A1 (0.46) MAPTMAPK1GAAATMNPC1
SCHEMBL4597455 0.76 CYP4F2 (0.42) CYP4F2CYP4A11TLR7NPC1RAB9A
SCHEMBL4596529 0.76 TYMS (0.44) GAANPC1RAB9ASMN1; SMN2PKM
SCHEMBL5575494 0.75 NPC1 (0.37) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4597623 0.74 RXFP1 (0.38) MAPTMAPK1GAAATMNPC1
SCHEMBL4597860 0.73 GAA (0.38) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL5573786 0.72 ABCG2 (0.37) MAPTHPGDALDH1A1
SCHEMBL4596513 0.70 MAOA (0.44) MAPTMAPK1GAANPC1RAB9A
SCHEMBL6934357 0.70 CYP4F2 (0.54) CYP4F2CYP4A11MAPTMAPK1GAA

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
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

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 CYP4F2 3427/4885CYP4A11 1318/4885MAPT 3432/4885

“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.