SCHEMBL14733229

SCHEMBL14733229

COc1ccc(CC(C)=O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.85
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
STAT3 P40763 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
GNRHR P30968 1/20 0.39
KMT2A Q03164 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.37

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) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
SCHEMBL14733233 0.94 CYP3A4 (0.77) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
SCHEMBL14733234 0.93 CYP3A4 (0.75) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
SCHEMBL2361747 0.92 CYP3A4 (0.85) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL349848 0.92 CYP3A4 (1.00) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL29567409 0.92 CYP3A4 (1.00) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL14715970 0.91 CYP3A4 (0.84) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL14715969 0.91 CYP3A4 (0.98) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
Am-461 SCHEMBL14715972 0.91 CYP3A4 (0.98) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19
SCHEMBL14733235 0.90 CYP3A4 (0.76) CYP3A4EPHX2CYP1A2CYP2C9CYP2C19

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-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
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 218/4885CYP1A2 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.