SCHEMBL348306

SCHEMBL348306

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.40
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.38
KLK7 P49862 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
STAT3 P40763 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2278829 0.90 CYP3A4 (0.52) CYP3A4L3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL349965 0.90 CYP3A4 (0.80) CYP3A4L3MBTL1LMNAPTGDR2EPHX2
SCHEMBL350554 0.89 CYP3A4 (0.81) CYP3A4L3MBTL1LMNAPTGDR2EPHX2
SCHEMBL347169 0.89 CYP3A4 (0.64) CYP3A4L3MBTL1LMNAPTGDR2EPHX2
SCHEMBL348678 0.87 CYP3A4 (0.49) CYP3A4L3MBTL1LMNAPTGDR2EPHX2
SCHEMBL350058 0.87 CYP3A4 (0.62) CYP3A4L3MBTL1LMNAPTGDR2EPHX2
SCHEMBL347679 0.87 CYP3A4 (0.64) CYP3A4L3MBTL1LMNAPTGDR2SMN1; SMN2
SCHEMBL13521857 0.86 CYP3A4 (0.46) CYP3A4L3MBTL1LMNAPTGDR2EPHX2
SCHEMBL349788 0.85 CYP3A4 (0.60) CYP3A4L3MBTL1LMNAPTGDR2SMN1; SMN2
SCHEMBL348259 0.85 CYP3A4 (0.60) CYP3A4L3MBTL1LMNAPTGDR2EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (4 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885LMNA 2277/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885LMNA 2277/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885LMNA 2277/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885L3MBTL1 4395/4885LMNA 2161/4885

“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.