SCHEMBL21695124

SCHEMBL21695124

Cc1c(C)n(Cc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c2ncccc12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.75
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39

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
SCHEMBL21632276 0.90 PTGDR2 (0.72) PTGDR2NR1H2NR1H3
SCHEMBL28237487 0.86 PTGDR2 (0.76) PTGDR2
Fevipiprant SCHEMBL1940595 0.86 PTGDR2 (1.00) PTGDR2
Fevipiprant SCHEMBL29355753 0.86 PTGDR2 (1.00) PTGDR2
SCHEMBL21632133 0.84 PTGDR2 (0.72) PTGDR2NR1H2NR1H3
SCHEMBL21695121 0.83 PTGDR2 (0.69) PTGDR2
SCHEMBL1940778 0.83 PTGDR2 (0.82) PTGDR2
SCHEMBL21591931 0.83 PTGDR2 (0.82) PTGDR2
SCHEMBL20508235 0.83 PTGDR2 (0.81) PTGDR2
SCHEMBL21632349 0.82 PTGDR2 (0.62) PTGDR2

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-10723735-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid NOVARTIS PHARMA AG (CH) 2020-07-28 US disclosed
US-20200031824-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS PHARMA AG (CH) 2020-01-30 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 (2 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-20200031824-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID MMAB, PAH, CPS1 PTGDR2 2091/4885NR1H2 4840/4885NR1H3 4832/4885
US-10723735-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid MMAB, PAH, CPS1 PTGDR2 2091/4885NR1H2 4840/4885NR1H3 4832/4885

“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.