SCHEMBL14733241

SCHEMBL14733241

COC(=O)Cc1ccc(OC)c(Oc2ccc(NO)cc2CSC(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
EPHX2 P34913 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
STAT3 P40763 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL2361747 0.89 CYP3A4 (0.85) CYP3A4EPHX2MTNR1AMTNR1BL3MBTL1
SCHEMBL14715933 0.86 CYP3A4 (0.61) CYP3A4EPHX2MTNR1AMTNR1BALDH1A1
SCHEMBL12515659 0.84 CYP3A4 (0.58) CYP3A4ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL14733243 0.83 CYP3A4 (0.65) CYP3A4EPHX2MTNR1AMTNR1BALDH1A1
SCHEMBL19033475 0.83 CYP3A4 (0.76) CYP3A4EPHX2L3MBTL1ALDH1A1GAA
SCHEMBL347169 0.82 CYP3A4 (0.64) CYP3A4EPHX2L3MBTL1ALDH1A1PTGDR2
SCHEMBL349965 0.82 CYP3A4 (0.80) CYP3A4EPHX2L3MBTL1ALDH1A1GAA
SCHEMBL13521928 0.81 CYP3A4 (0.55) CYP3A4ALDH1A1GAAPTGDR2SMN1; SMN2
SCHEMBL349807 0.81 CYP3A4 (0.79) CYP3A4EPHX2L3MBTL1PTGDR2POLB
SCHEMBL348306 0.81 CYP3A4 (0.65) CYP3A4EPHX2L3MBTL1ALDH1A1GAA

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 2497/4885EPHX2 218/4885MTNR1A 210/4885

“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.