SCHEMBL230873

SCHEMBL230873

CCOC(=O)Cc1c2c(c3ccccn13)CC(NS(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.54
PTGDR Q13258 5/20 0.54
CYP2C9 P11712 3/20 0.54
CYP3A4 P08684 1/20 0.54
TBXA2R P21731 5/20 0.50
ABCB11 O95342 1/20 0.49
DRD1 P21728 1/20 0.49
CCKAR P32238 1/20 0.49
RB1 P06400 1/20 0.43
POLB P06746 1/20 0.42
HTR1A P08908 6/20 0.41
HTR7 P34969 6/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL233239 0.82 PTGDR2 (0.80) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL233240 0.78 CYP3A4 (0.45) PTGDR2PTGDRCYP2C9CYP3A4POLB
SCHEMBL232954 0.78 CYP3A4 (0.47) PTGDR2PTGDRCYP2C9CYP3A4POLB
SCHEMBL233271 0.77 CYP3A4 (0.45) PTGDR2PTGDRCYP2C9CYP3A4POLB
SCHEMBL233257 0.76 PTGDR2 (0.64) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL15052559 0.72 TBXA2R (0.62) PTGDR2PTGDRCYP2C9TBXA2RABCB11
SCHEMBL232732 0.72 PTGDR2 (0.80) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL233258 0.70 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL231764 0.69 ALDH1A1 (0.44) CYP3A4POLBMEN1KMT2ALMNA
SCHEMBL9593991 0.69 PTGDR2 (0.82) PTGDR2PTGDRCYP2C9TBXA2RABCB11

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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885CYP2C9 817/4885

“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.