SCHEMBL19506935

SCHEMBL19506935

CCCn1c(C)c(Cc2cccnc2S(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.77
TBXAS1 P24557 3/20 0.42
POLB P06746 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
SCHEMBL12580668 0.88 PTGDR2 (0.76) PTGDR2TBXAS1
SCHEMBL1598755 0.87 PTGDR2 (1.00) PTGDR2
SCHEMBL1599386 0.86 PTGDR2 (0.81) PTGDR2
SCHEMBL1466910 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL12580666 0.83 PTGDR2 (0.77) PTGDR2
SCHEMBL27799169 0.83 PTGDR2 (0.76) PTGDR2TBXAS1
SCHEMBL1466225 0.82 PTGDR2 (1.00) PTGDR2
SCHEMBL1599841 0.82 PTGDR2 (0.82) PTGDR2
SCHEMBL1599801 0.81 PTGDR2 (0.82) PTGDR2
SCHEMBL19506937 0.81 PTGDR2 (0.52) PTGDR2TBXAS1POLB

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-9828359-B2 Process for the preparation of 3-substituted (indol-1-yl)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2017-11-28 US disclosed
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ZACH SYSTEM SPA (IT) 2017-10-26 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-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS IDO1, IDO2, SI PTGDR2 1790/4885TBXAS1 1379/4885POLB 4045/4885

“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.