SCHEMBL14733233

SCHEMBL14733233

[2H]C([2H])([2H])C(SCc1cc(NC(=O)C(C)(C)C)ccc1Oc1cc(CC(C)=O)ccc1OC)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.77
EPHX2 P34913 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.37
GNRHR P30968 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
STAT3 P40763 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 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
SCHEMBL14733232 0.94 CYP3A4 (0.77) CYP3A4EPHX2PTGDR2GNRHRSMN1; SMN2
SCHEMBL14733229 0.94 CYP3A4 (0.85) CYP3A4EPHX2PTGDR2GNRHRSMN1; SMN2
SCHEMBL14733234 0.92 CYP3A4 (0.75) CYP3A4EPHX2PTGDR2GNRHRSMN1; SMN2
SCHEMBL14733235 0.87 CYP3A4 (0.76) CYP3A4EPHX2PTGDR2GNRHRSMN1; SMN2
SCHEMBL14733240 0.87 CYP3A4 (0.70) CYP3A4EPHX2PTGDR2SMN1; SMN2LMNA
SCHEMBL2361747 0.87 CYP3A4 (0.85) CYP3A4EPHX2PTGDR2GNRHRSMN1; SMN2
Am-461 SCHEMBL29567409 0.87 CYP3A4 (1.00) CYP3A4EPHX2PTGDR2SMN1; SMN2STAT3
Am-461 SCHEMBL349848 0.87 CYP3A4 (1.00) CYP3A4EPHX2PTGDR2SMN1; SMN2STAT3
Am-461 SCHEMBL14715969 0.86 CYP3A4 (0.98) CYP3A4EPHX2PTGDR2SMN1; SMN2STAT3
Am-461 SCHEMBL14715970 0.86 CYP3A4 (0.84) CYP3A4EPHX2PTGDR2GNRHRSMN1; SMN2

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-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 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-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 CYP3A4 2497/4885EPHX2 218/4885PTGDR2 2/4885

“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.