SCHEMBL14733252

SCHEMBL14733252

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.81
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
EPHX2 P34913 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT3 P40763 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GNRHR P30968 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 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
Am-461 SCHEMBL349848 0.90 CYP3A4 (1.00) CYP3A4EPHX2PTGDR2SMN1; SMN2CYP1A2
SCHEMBL14733229 0.90 CYP3A4 (0.85) CYP3A4BCHEACHEEPHX2PTGDR2
SCHEMBL2361747 0.90 CYP3A4 (0.85) CYP3A4EPHX2PTGDR2SMN1; SMN2LMNA
Am-461 SCHEMBL29567409 0.90 CYP3A4 (1.00) CYP3A4EPHX2PTGDR2SMN1; SMN2CYP1A2
SCHEMBL14733251 0.89 CYP3A4 (0.78) CYP3A4BCHEACHEEPHX2PTGDR2
Am-461 SCHEMBL14715969 0.89 CYP3A4 (0.98) CYP3A4EPHX2PTGDR2SMN1; SMN2CYP1A2
Am-461 SCHEMBL14715972 0.89 CYP3A4 (0.98) CYP3A4EPHX2PTGDR2SMN1; SMN2CYP1A2
Am-461 SCHEMBL14715970 0.89 CYP3A4 (0.84) CYP3A4BCHEACHEEPHX2PTGDR2
SCHEMBL349965 0.88 CYP3A4 (0.80) CYP3A4EPHX2PTGDR2SMN1; SMN2LMNA
SCHEMBL14733237 0.85 CYP3A4 (0.77) CYP3A4EPHX2PTGDR2SMN1; SMN2LMNA

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 4 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-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
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 2497/4885BCHE 3435/4885ACHE 2528/4885

“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.