SCHEMBL3329201

SCHEMBL3329201

N[C@@H]1Cc2ccccc2[C@H]1COCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.40
PTGDR Q13258 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
CD69 Q07108 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALOX15 P16050 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL3327003 0.86 HTR2C (0.36) SIGMAR1KDM1A
SCHEMBL13299028 0.82 EPHX2 (0.36) KDM1A
SCHEMBL24650858 0.81 PYGL (0.42) SIGMAR1KDM1A
Hydrochloric Acid SCHEMBL3328714 0.80 PYGL (0.41) SIGMAR1KDM1A
SCHEMBL24650860 0.79 PYGL (0.43) SIGMAR1KDM1A
SCHEMBL3327000 0.78 ESR1 (0.35) ALOX15
SCHEMBL24650472 0.78 PYGL (0.44) PTGDR2CD69SIGMAR1ALOX15KDM1A
SCHEMBL24650851 0.77 PYGL (0.45)
SCHEMBL8654044 0.76 GAA (0.46)
SCHEMBL7337626 0.76 GAA (0.46)

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-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 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-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 PTGIR 2476/4885PTGDR 3553/4885PTGDR2 3500/4885
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 PTGIR 3725/4885PTGDR 4728/4885PTGDR2 4594/4885

“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.