SCHEMBL4940591

SCHEMBL4940591

CCCC(Cl)(OC(=O)CC(=O)O)OC(=O)CC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31

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
SCHEMBL4938475 0.83 LDHA (0.33) FFAR3LDHASRR
SCHEMBL452971 0.78 ALDH1A1 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2957096 0.76 FFAR3 (0.31) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5862450 0.74 LMNA (0.32) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7642543 0.74 LDHA (0.36) LDHASRR
Butane SCHEMBL14890902 0.72 MEN1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2710907 0.72 LDHA (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL26978678 0.71 PAM (0.39)
SCHEMBL22092195 0.71 AKR1B1 (0.40)
SCHEMBL2967817 0.70 LDHA (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 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-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors PDE4A, PDE4B, PDE3B FFAR3 417/4885HDAC3 218/4885HDAC1 307/4885

“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.