SCHEMBL2279337

SCHEMBL2279337

COc1ccc(CC(=O)O)cc1Oc1ccc(C(=O)c2ccccc2)cc1CSC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
ACHE P22303 6/20 0.45
BCHE P06276 4/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ATM Q13315 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SRD5A2 P31213 2/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL2276265 0.90 ACHE (0.42) CYP3A4ACHEBCHEPTGS1PTGS2
SCHEMBL350613 0.84 PTGDR2 (0.52) CYP3A4PTGDR2
SCHEMBL12375426 0.83 CYP3A4 (0.53) CYP3A4PTGDR2GAAALDH1A1TSHR
SCHEMBL350648 0.81 PTGDR2 (0.57) CYP3A4PTGDR2GAATDP1
SCHEMBL348158 0.79 PPARG (0.42) CYP3A4PTGDR2ALDH1A1TSHR
SCHEMBL348299 0.79 PTGDR2 (0.57) CYP3A4PTGDR2GAATSHR
SCHEMBL349708 0.79 CYP3A4 (0.56) CYP3A4PTGDR2GAA
SCHEMBL348300 0.79 CYP3A4 (0.42) CYP3A4PTGDR2GAAALDH1A1TSHR
SCHEMBL349956 0.78 CYP3A4 (0.79) CYP3A4PTGDR2CYP1A2CYP2C19GAA
SCHEMBL13523244 0.78 PTGDR2 (0.45) CYP3A4PTGDR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
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
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 (1 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885ACHE 4331/4885BCHE 4437/4885

“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.