SCHEMBL14733235

SCHEMBL14733235

[2H]C([2H])(C(C)=O)c1ccc(OC)c(Oc2ccc(NC(=O)C(C)(C)C)cc2CSC(C)(C)C)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.76
GNRHR P30968 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14733229 0.90 CYP3A4 (0.85) CYP3A4GNRHRCYP1A2CYP2C9CYP2C19
SCHEMBL14733233 0.87 CYP3A4 (0.77) CYP3A4GNRHRCYP1A2CYP2C9CYP2C19
SCHEMBL14733232 0.87 CYP3A4 (0.77) CYP3A4GNRHRCYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL29567409 0.87 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C9CYP2C19EPHX2
Am-461 SCHEMBL349848 0.87 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL2361747 0.87 CYP3A4 (0.85) CYP3A4GNRHRCYP1A2CYP2C9CYP2C19
SCHEMBL14733234 0.86 CYP3A4 (0.75) CYP3A4GNRHRCYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL14715970 0.86 CYP3A4 (0.84) CYP3A4GNRHRCYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL14715969 0.86 CYP3A4 (0.98) CYP3A4CYP1A2CYP2C9CYP2C19EPHX2
Am-461 SCHEMBL14715972 0.86 CYP3A4 (0.98) CYP3A4CYP1A2CYP2C9CYP2C19EPHX2

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 2497/4885GNRHR 2609/4885CYP1A2 332/4885

“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.