SCHEMBL348741

SCHEMBL348741

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(C(=O)Nc3ccc(OC)nc3)cc2CSC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL349151 0.91 CYP3A4 (0.65) CYP3A4POLBSMN1; SMN2LMNAMEN1
SCHEMBL349788 0.86 CYP3A4 (0.60) CYP3A4POLBSMN1; SMN2LMNAMAPT
SCHEMBL348830 0.84 CYP3A4 (0.60) CYP3A4POLBSMN1; SMN2LMNAMAPT
SCHEMBL347679 0.84 CYP3A4 (0.64) CYP3A4POLBSMN1; SMN2LMNAMAPT
SCHEMBL349240 0.84 CYP3A4 (0.52) CYP3A4POLBSMN1; SMN2LMNAMAPT
SCHEMBL12375441 0.84 CYP3A4 (0.54) CYP3A4POLBSMN1; SMN2LMNAMAPT
SCHEMBL348562 0.84 CYP3A4 (0.54) CYP3A4POLBSMN1; SMN2LMNAMAPT
SCHEMBL350169 0.83 CYP3A4 (0.60) CYP3A4SMN1; SMN2LMNAMAPTMEN1
SCHEMBL348259 0.83 CYP3A4 (0.60) CYP3A4POLBSMN1; SMN2LMNAMAPT
SCHEMBL347183 0.82 CYP3A4 (0.51) CYP3A4POLBSMN1; SMN2LMNAMAPT

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 9 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

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 1441/4885POLB 2912/4885SMN1; SMN2 4300/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885POLB 2912/4885SMN1; SMN2 4300/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885POLB 2912/4885SMN1; SMN2 4300/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885POLB 3070/4885SMN1; SMN2 4612/4885

“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.