SCHEMBL1834429

SCHEMBL1834429

Cc1ncccc1S(=O)(=O)n1cc(CN(CC(C)(C)C)C(=O)O)c(F)c1-c1cccnc1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.32
DHODH Q02127 1/20 0.31
CCKAR P32238 1/20 0.30
DCTPP1 Q9H773 1/20 0.30

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
SCHEMBL2412162 0.91 PTGDR2 (0.32) PTGDR2DCTPP1
SCHEMBL1832617 0.89 PTGDR2 (0.31) PTGDR2
SCHEMBL1830821 0.89 GPBAR1 (0.30) PTGDR2
SCHEMBL2414690 0.88 HTR6 (0.32) PTGDR2CCKAR
SCHEMBL2410517 0.88 DHODH (0.31) PTGDR2DHODH
SCHEMBL2410668 0.88 PTGDR2 (0.32) PTGDR2
SCHEMBL2414830 0.88 PTGDR2 (0.34) PTGDR2
SCHEMBL1833794 0.88 PTGDR2 (0.34) PTGDR2CCKAR
SCHEMBL2409445 0.88 ESR1 (0.39) PTGDR2CCKAR
SCHEMBL2411402 0.87 DHODH (0.30) PTGDR2DHODH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S PTGDR2 387/4885DHODH 1109/4885CCKAR 372/4885

“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.