SCHEMBL4597623

SCHEMBL4597623

COC(=O)c1ccc(Sc2ccc(C=O)c(C)n2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MITF O75030 1/20 0.35
ERN1 O75460 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK11 Q15759 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
SCHEMBL5572439 0.86 ALDH1A1 (0.40) RXFP1MAPTL3MBTL1ALDH1A1POLB
SCHEMBL4597157 0.85 ALDH1A1 (0.46) RXFP1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4597346 0.82 SMN1; SMN2 (0.36) RXFP1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4598259 0.81 MAPT (0.36) RXFP1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4598256 0.78 KDM4E (0.33) RXFP1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4596529 0.75 TYMS (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5573786 0.74 ABCG2 (0.37) MAPTL3MBTL1ALDH1A1ERN1HPGD
SCHEMBL4596971 0.74 CYP4F2 (0.41) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL4597190 0.73 HAO1 (0.44) MAPTALDH1A1POLBERN1CYP1A2
SCHEMBL5575494 0.71 NPC1 (0.37) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 RXFP1 707/4885RAB9A 2707/4885NPC1 473/4885

“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.