SCHEMBL233258

SCHEMBL233258

CN(C1CCc2c(c3ccccn3c2CC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
PTGDR Q13258 18/20 1.00
CYP2C9 P11712 7/20 1.00
CYP3A4 P08684 2/20 1.00
TBXA2R P21731 11/20 0.61
DRD2 P14416 1/20 0.56
GABRA1 P14867 1/20 0.56
ADRA1D P25100 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.50

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 0.89 PTGDR2 (0.80) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL233949 0.85 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3242718 0.85 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL15428835 0.85 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3547689 0.78 PTGDR2 (0.73) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL233257 0.78 PTGDR2 (0.64) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3550194 0.77 PTGDR2 (0.71) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2187459 0.77 PTGDR2 (0.71) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188061 0.77 PTGDR2 (0.71) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2190260 0.77 PTGDR2 (0.71) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R

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.