SCHEMBL350058

SCHEMBL350058

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)C3CC3)cc2CSC(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
EPHX2 P34913 1/20 0.38
GNRHR P30968 4/20 0.38

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
SCHEMBL350659 0.90 CYP3A4 (0.77) CYP3A4L3MBTL1POLBKMT2ALMNA
SCHEMBL349965 0.88 CYP3A4 (0.80) CYP3A4L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL349267 0.88 CYP3A4 (0.47) CYP3A4TP53L3MBTL1POLBALDH1A1
SCHEMBL348306 0.87 CYP3A4 (0.65) CYP3A4L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL13521848 0.87 TP53 (0.48) CYP3A4TP53L3MBTL1POLBALDH1A1
SCHEMBL347169 0.86 CYP3A4 (0.64) CYP3A4L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL347679 0.85 CYP3A4 (0.64) CYP3A4TP53L3MBTL1POLBALDH1A1
SCHEMBL348259 0.83 CYP3A4 (0.60) CYP3A4L3MBTL1POLBALDH1A1KMT2A
SCHEMBL350169 0.83 CYP3A4 (0.60) CYP3A4TP53L3MBTL1ALDH1A1KMT2A
SCHEMBL349788 0.83 CYP3A4 (0.60) CYP3A4TP53L3MBTL1POLBALDH1A1

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 1441/4885TP53 4519/4885L3MBTL1 4068/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885TP53 4519/4885L3MBTL1 4068/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885TP53 4519/4885L3MBTL1 4068/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885TP53 4540/4885L3MBTL1 4395/4885

“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.