SCHEMBL10129336

SCHEMBL10129336

C=C(O)Cc1cc(Cl)cc(Oc2ccc(NC(=O)C(C)(C)C)cc2CS(=O)(=O)C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
P2RX4 Q99571 11/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2C P28335 1/20 0.37
P2RX3 P56373 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
P2RX7 Q99572 1/20 0.37
PTGDR2 Q9Y5Y4 7/20 0.36
PTGDR Q13258 1/20 0.35

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
SCHEMBL347634 0.93 CYP3A4 (0.47) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL349083 0.92 CYP3A4 (0.40) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL10129303 0.83 CYP3A4 (0.61) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL1572613 0.82 CYP3A4 (0.48) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL12375393 0.81 CYP3A4 (0.45) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL349244 0.79 CYP3A4 (0.45) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL13521968 0.78 CYP3A4 (0.51) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL349800 0.78 CYP3A4 (0.54) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL350021 0.77 CYP3A4 (0.47) CYP3A4P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL348006 0.77 CYP3A4 (0.69) CYP3A4PTGDR2PTGDR

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 2 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

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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885P2RX4 336/4885CYP2C8 613/4885

“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.