SCHEMBL6368367

SCHEMBL6368367

NC(C(=O)Cc1ccccc1)C1(CC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC15A1 P46059 2/20 0.42
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CASP1 P29466 1/20 0.37
CDC25B P30305 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL6368352 0.85 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC15A1SLC1A3
SCHEMBL27612210 0.83 LTA4H (0.43) ALDH1A1MAPK1L3MBTL1SLC15A1SLC1A3
SCHEMBL5148801 0.80 SLC15A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC15A1SLC1A3
SCHEMBL10408165 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1SLC15A1CYP2C9
SCHEMBL10408344 0.77 CTSL (0.46) ALDH1A1MAPK1L3MBTL1SLC15A1CYP2C9
SCHEMBL7509351 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL27534954 0.74 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1CYP2C19KMT2A
SCHEMBL14148977 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL3699844 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL25581 0.73 SLC15A1 (0.36) ALDH1A1MAPK1L3MBTL1SLC15A1CTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059735-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2005-03-17 US claimed
US-20030216469-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-20 US claimed
US-20050059735-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2005-03-17 US disclosed
US-20030216469-A1 Cyclic amino acid derivatives useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-20 US 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 (2 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-20050059735-A1 Cyclic amino acid derivatives useful as pharmaceutical agents QPCT, ARGLU1, PNISR ALDH1A1 3285/4885MAPK1 1366/4885L3MBTL1 2753/4885
US-20030216469-A1 Cyclic amino acid derivatives useful as pharmaceutical agents QPCT, ARGLU1, QPCTL ALDH1A1 3091/4885MAPK1 1038/4885L3MBTL1 2873/4885

“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.