SCHEMBL342966

SCHEMBL342966

CCC(C(=O)O)C(=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
OGG1 O15527 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
FPR2 P25090 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL6543553 0.87 GSK3B (0.44) GSK3BSLC6A2SLC6A4SLC6A3CES2
SCHEMBL2289091 0.82 ALDH1A1 (0.50) GSK3BSLC6A2SLC6A4SLC6A3CES2
SCHEMBL16553310 0.82 LMNA (0.59) SLC6A2SLC6A4SLC6A3CES2HTT
SCHEMBL27986090 0.82 GSK3B (0.43) GSK3BSLC6A2SLC6A4SLC6A3CES2
SCHEMBL442090 0.82 MDM2 (0.59) GSK3BSLC6A2SLC6A3CES2CES1
SCHEMBL6313883 0.81 GSK3B (0.42) GSK3BSLC6A2SLC6A4SLC6A3CES2
SCHEMBL904487 0.81 HTT (0.51) GSK3BCES2CES1HTTCA1
SCHEMBL891617 0.81 PTPN1 (0.47) SLC6A2SLC6A3CES2CES1KMT2A
SCHEMBL2288279 0.80 PARP1 (0.50) SLC6A2SLC6A3HTTKMT2AMEN1
SCHEMBL18994620 0.80 SLC6A2 (0.49) GSK3BSLC6A2SLC6A4SLC6A3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 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 (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-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 GSK3B 3416/4885SLC6A2 3815/4885SLC6A4 3795/4885

“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.