SCHEMBL348756

SCHEMBL348756

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(C(=O)NC(C)(C)Cc3ccc(F)cc3)cc2CSC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.51
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
ATM Q13315 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL349219 0.90 PTGDR2 (0.59) PTGDR2CYP3A4MEN1KMT2A
SCHEMBL10129413 0.90 PTGDR2 (0.53) PTGDR2CYP3A4ALDH1A1HPGDLMNA
SCHEMBL348562 0.88 CYP3A4 (0.54) PTGDR2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL349788 0.85 CYP3A4 (0.60) PTGDR2CYP3A4ALDH1A1HPGDLMNA
SCHEMBL12375441 0.85 CYP3A4 (0.54) PTGDR2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL13521970 0.84 CYP3A4 (0.54) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL347183 0.84 CYP3A4 (0.51) PTGDR2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL349240 0.83 CYP3A4 (0.52) PTGDR2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL347170 0.83 CYP3A4 (0.57) PTGDR2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL3266122 0.82 CYP3A4 (0.51) PTGDR2CYP3A4ALDH1A1LMNAMAPT

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 PTGDR2 2/4885CYP3A4 1441/4885ALDH1A1 2185/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 1441/4885ALDH1A1 2185/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 1441/4885ALDH1A1 2185/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 1367/4885ALDH1A1 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.