SCHEMBL2276265

SCHEMBL2276265

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(C(=O)c3ccccc3)cc2CSC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.42
BCHE P06276 4/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL348158 0.91 PPARG (0.42) PPARGPPARACYP3A4ABL1RIN1
SCHEMBL2279337 0.90 CYP3A4 (0.48) ACHEBCHEPTGS1PTGS2ATM
SCHEMBL348776 0.88 CYP3A4 (0.41) CYP3A4POLBABL1RIN1ALDH1A1
SCHEMBL349491 0.85 PTGDR2 (0.42) CYP3A4POLBALDH1A1LMNA
SCHEMBL349203 0.84 CYP3A4 (0.40) PPARGPPARAATMCYP3A4CYP1A2
SCHEMBL350678 0.84 ABL1 (0.45) PPARGPPARAATMCYP3A4POLB
SCHEMBL349209 0.81 PTGDR2 (0.48) PPARGPPARAALDH1A1LMNA
SCHEMBL350012 0.81 HTT (0.44) CYP3A4HPGDPOLBALDH1A1LMNA
SCHEMBL349984 0.80 USP2 (0.38) ATMCYP3A4ABL1RIN1ALDH1A1
SCHEMBL349983 0.80 PTGDR2 (0.48) LMNA

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 4 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 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

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 ACHE 4331/4885BCHE 4437/4885PTGS1 13/4885

“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.