SCHEMBL4938475

SCHEMBL4938475

CCC(Cl)(OC(=O)CC(=O)O)OC(=O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL4940591 0.83 FFAR3 (0.31) LDHASRRFFAR3
SCHEMBL2710907 0.79 LDHA (0.38) LDHASRRFFAR3TSHRMGAM
SCHEMBL2967817 0.77 LDHA (0.36) LDHASRRFFAR3TSHRMGAM
SCHEMBL7642543 0.77 LDHA (0.36) LDHASRRTSHRGAA
SCHEMBL620518 0.76 LDHA (0.35) LDHASRRFFAR3TSHRMGAM
SCHEMBL3929483 0.76 CYP2D6 (0.35) LDHASRRFFAR3TSHRMGAM
SCHEMBL9820094 0.76 LDHA (0.35) LDHASRRFFAR3TSHRMGAM
SCHEMBL9065496 0.75 LDHA (0.31) LDHASRR
SCHEMBL10770038 0.74 LDHA (0.33) LDHASRRFFAR3TSHRMGAM
SCHEMBL10550164 0.74 LDHA (0.33) LDHASRRFFAR3TSHRMGAM

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 LDHA 3863/4885SRR 234/4885FFAR3 417/4885

“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.