SCHEMBL6803471

SCHEMBL6803471

CCCCOC(=O)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.63
NPC1 O15118 9/20 0.63
SMN1; SMN2 Q16637 9/20 0.63
HPGD P15428 6/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPK1 P28482 2/20 0.63
CASP1 P29466 1/20 0.63
MCL1 Q07820 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 3/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL7564852 0.87 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL1022959 0.86 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL29892760 0.85 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL7564856 0.84 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL13387589 0.83 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL3765824 0.83 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12637645 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL8866622 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12637646 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL16696426 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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-20040101864-A1 Chemical process ATRAZENECA AB (SE) 2004-05-27 US disclosed
WO-2003051909-A2 PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACCEPTABLE SALTS OF A COMPOUND ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
WO-2003051918-A1 SOLUTION-PHASE PROCESS FOR THE MANUFACTURE OF DECAPEPTIDE ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
EP-1320538-A2 PROCESS FOR THE PREPARATION OF 5-PHENYLPENTANOYL-ALA-ARGL-ALA- 2-[3-AMINO-2-OXOPYRROLIDIN-1-YL]PROPIONYL - ALA-ARG-ALA-4-AMINOPHENYLACETAMIDE AstraZeneca AB (SE) 2003-06-25 EP disclosed
WO-2002008247-A2 PROCESS FOR THE PREPARATION OF 5-PHENYLPENTANOYL-ALA-ARGL-{2-[3-AMINO-2-OXOPYRROLIDIN-1-YL]PROPIONYL}-ALA-ARG-ALA-4-AMINOPHENYLACETAMIDE ASTRAZENECA AB (SE) 2002-01-31 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-20040101864-A1 Chemical process ASS1, SRM, SRMS RAB9A 2009/4885NPC1 4657/4885SMN1; SMN2 2240/4885

“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.