SCHEMBL2193022

SCHEMBL2193022

CN(Cc1cn(S(=O)(=O)c2cncc(Cl)c2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.35
NAMPT P43490 1/20 0.33
GRM4 Q14833 4/20 0.32
PDE4B Q07343 1/20 0.31
HTR6 P50406 1/20 0.31
CCKAR P32238 1/20 0.31
DHODH Q02127 1/20 0.31
NOS2 P35228 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SLC6A9 P48067 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
SCHEMBL2196044 0.91 NAMPT (0.33) PTGDR2NAMPTHTR6CCKARDHODH
SCHEMBL2194515 0.90 PTGDR2 (0.32) PTGDR2NAMPTGRM4HTR6CCKAR
SCHEMBL1830275 0.89 HTR2C (0.34) PTGDR2NAMPTGRM4
SCHEMBL2413180 0.88 HTR6 (0.37) NAMPTHTR6SLC6A9
SCHEMBL1830277 0.88 PTGDR2 (0.34) PTGDR2NAMPTGRM4CCKAR
SCHEMBL5002808 0.84 HTR6 (0.36) PTGDR2NAMPTHTR6SLC6A9
SCHEMBL1831984 0.84 NAMPT (0.34) NAMPTGRM4PDE4BHTR6NOS2
SCHEMBL5008217 0.84 HTR6 (0.38) PTGDR2HTR6
SCHEMBL2194090 0.84 PTGDR2 (0.33) PTGDR2NAMPTHTR6CCKARDHODH
SCHEMBL2193027 0.84 NAMPT (0.35) PTGDR2NAMPTGRM4PDE4BPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S PTGDR2 387/4885NAMPT 1814/4885GRM4 2678/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S PTGDR2 387/4885NAMPT 1814/4885GRM4 2678/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S PTGDR2 387/4885NAMPT 1814/4885GRM4 2678/4885

“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.