SCHEMBL14733246

SCHEMBL14733246

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(N=O)cc2CSC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
DRD2 P14416 1/20 0.40
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
CYP4Z1 Q86W10 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL349485 0.86 CYP3A4 (0.55) CYP3A4DRD2MTNR1AMTNR1BABL1
SCHEMBL349119 0.86 CYP3A4 (0.55) CYP3A4DRD2MTNR1AMTNR1BABL1
SCHEMBL12409556 0.86 CYP3A4 (0.40) CYP3A4DRD2MTNR1AMTNR1BABL1
SCHEMBL347170 0.85 CYP3A4 (0.57) CYP3A4DRD2MTNR1AMTNR1BABL1
SCHEMBL13521970 0.85 CYP3A4 (0.54) CYP3A4DRD2MTNR1AMTNR1BABL1
SCHEMBL13521925 0.85 CYP3A4 (0.54) CYP3A4DRD2MTNR1AMTNR1BABL1
SCHEMBL2278477 0.85 CYP3A4 (0.54) CYP3A4DRD2PPARA
SCHEMBL348562 0.84 CYP3A4 (0.54) CYP3A4DRD2ALDH1A1MAPTPOLB
SCHEMBL347672 0.84 CYP3A4 (0.53) CYP3A4ALDH1A1MAPTPOLBLMNA
SCHEMBL349965 0.82 CYP3A4 (0.80) CYP3A4DRD2ALDH1A1MAPTGAA

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 2497/4885DRD2 471/4885MTNR1A 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.