SCHEMBL22404548

SCHEMBL22404548

Cc1ccccc1-c1ccc(C(C)C(N)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MCL1 Q07820 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
APP P05067 1/20 0.41
AKR1C3 P42330 1/20 0.39

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
SCHEMBL29031806 0.86 PTGS2 (0.59) EPHX1PTGS2LMNASMN1; SMN2APP
SCHEMBL3671835 0.85 PTGS2 (0.68) PTGS2SLC1A3SLC1A2SLC1A1MCL1
SCHEMBL28775715 0.82 SCN9A (0.48) EPHX1PTGS2DPP4DPP7APP
SCHEMBL2357849 0.82 NPSR1 (0.54) EPHX1PTGS2LMNASMN1; SMN2NPSR1
SCHEMBL8696877 0.80 PTGS2 (0.71) EPHX1PTGS2SMN1; SMN2
SCHEMBL7019484 0.78 F10 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL23198148 0.77 CA12 (0.46) CA12CA1CA2CA9PTGS2
SCHEMBL29225757 0.77 CA12 (0.50) CA12CA1CA2CA9SLC1A3
SCHEMBL23198147 0.77 CA12 (0.46) CA12CA1CA2CA9PTGS2
SCHEMBL30057689 0.77 SLC1A3 (0.55) CA12CA1CA2CA9PTGS2

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-20200281892-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ReproNovo SA (CH) 2020-09-10 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-20200281892-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES KDM5A, KDM5C, KDM5B EPHX1 1063/4885CA12 4764/4885CA1 4566/4885

“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.