SCHEMBL14733243

SCHEMBL14733243

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
EPHX2 P34913 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
STAT3 P40763 1/20 0.35
CTSD P07339 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 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
SCHEMBL19033475 0.92 CYP3A4 (0.76) CYP3A4EPHX2ALDH1A1PTGDR2KDM4E
SCHEMBL14733229 0.86 CYP3A4 (0.85) CYP3A4EPHX2MTNR1AMTNR1BPTGDR2
SCHEMBL14733232 0.83 CYP3A4 (0.77) CYP3A4EPHX2MTNR1AMTNR1BPTGDR2
SCHEMBL14733241 0.83 CYP3A4 (0.68) CYP3A4EPHX2MTNR1AMTNR1BALDH1A1
SCHEMBL14733233 0.81 CYP3A4 (0.77) CYP3A4EPHX2MTNR1AMTNR1BPTGDR2
SCHEMBL14733234 0.80 CYP3A4 (0.75) CYP3A4EPHX2PTGDR2SMN1; SMN2POLB
SCHEMBL349807 0.79 CYP3A4 (0.79) CYP3A4EPHX2PTGDR2SMN1; SMN2POLB
SCHEMBL2361747 0.78 CYP3A4 (0.85) CYP3A4EPHX2MTNR1AMTNR1BALDH1A1
Am-461 SCHEMBL349848 0.78 CYP3A4 (1.00) CYP3A4EPHX2ALDH1A1PTGDR2SMN1; SMN2
Am-461 SCHEMBL29567409 0.78 CYP3A4 (1.00) CYP3A4EPHX2ALDH1A1PTGDR2SMN1; SMN2

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 218/4885MTNR1A 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.