SCHEMBL2197207

SCHEMBL2197207

CN(Cc1cn(S(=O)(=O)c2ccc(F)cn2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
GRM4 Q14833 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA2 P17301 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
SCHEMBL2407107 0.90 DHODH (0.33) DHODHALDH1A1MAPT
SCHEMBL2199160 0.89 MMP9 (0.37) GRM4
SCHEMBL1830758 0.88 HTR2C (0.34) GRM4
SCHEMBL1830760 0.87 GRM4 (0.30) GRM4
SCHEMBL5008445 0.85 DHODH (0.32) DHODHALDH1A1
SCHEMBL2192472 0.84 ELANE (0.33) DHODH
SCHEMBL5002571 0.84 DHODH (0.32) DHODH
SCHEMBL2413180 0.84 HTR6 (0.37) ALDH1A1LMNA
SCHEMBL2193980 0.84 DHODH (0.32) DHODHALDH1A1
SCHEMBL5002937 0.84 HTR6 (0.34) DHODHALDH1A1MAPT

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 DHODH 1109/4885GRM4 2678/4885ALDH1A1 1448/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S DHODH 1109/4885GRM4 2678/4885ALDH1A1 1448/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S DHODH 1109/4885GRM4 2678/4885ALDH1A1 1448/4885

“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.