SCHEMBL348580

SCHEMBL348580

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)OCCCl)cc2CSCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.36
EPHX2 P34913 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL350212 0.88 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1EPHX2PTGDR2
SCHEMBL347667 0.87 CYP3A4 (0.62) CYP3A4L3MBTL1ALDH1A1EPHX2PTGDR2
SCHEMBL348678 0.87 CYP3A4 (0.49) CYP3A4L3MBTL1ALDH1A1EPHX2PTGDR2
SCHEMBL350097 0.85 CYP3A4 (0.49) CYP3A4L3MBTL1ALDH1A1EPHX2PTGDR2
SCHEMBL347633 0.85 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1PTGDR2SMN1; SMN2
SCHEMBL349267 0.85 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1EPHX2PTGDR2
SCHEMBL350117 0.84 MAPT (0.47) CYP3A4L3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL348373 0.83 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1PTGDR2SMN1; SMN2
SCHEMBL13521890 0.83 ABL1 (0.44) CYP3A4L3MBTL1ALDH1A1EPHX2POLB
SCHEMBL347693 0.83 CYP3A4 (0.47) CYP3A4L3MBTL1PTGDR2SMN1; SMN2POLB

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 10 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
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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 4068/4885ALDH1A1 2185/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885ALDH1A1 2185/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885ALDH1A1 2185/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885L3MBTL1 4395/4885ALDH1A1 2155/4885

“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.