SCHEMBL448977

SCHEMBL448977

O=S(=O)(NCCO)c1cccc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
IDH2 P48735 2/20 0.45
EPHX2 P34913 1/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
TNNI3K Q59H18 1/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
GSTO1 P78417 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
IKBKB O14920 1/20 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
SCHEMBL439443 0.87 CYP2C19 (0.51) CYP2C19EPHX2GAAALDH1A1PKM
SCHEMBL449608 0.84 GSTO1 (0.58) GAAALDH1A1KMT2AGSTO1LMNA
SCHEMBL449207 0.79 MCL1 (0.43) CYP2C19GAAALDH1A1PKMGSTO1
SCHEMBL30794636 0.79 MCL1 (0.43) CYP2C19GAAALDH1A1PKMGSTO1
SCHEMBL1578975 0.76 MRGPRX4 (0.57) EPHX2ALDH1A1TP53HTT
SCHEMBL30794508 0.76 MRGPRX4 (0.57) EPHX2ALDH1A1TP53HTT
SCHEMBL451746 0.74 LMNA (0.41) CYP2C19GAAALDH1A1KMT2ALMNA
SCHEMBL7623885 0.72 CYP2C19 (0.73) CYP2C19GAAALDH1A1PKMKMT2A
SCHEMBL18950234 0.71 RAPGEF4 (0.33) IDH2ALDH1A1TP53MAPT
SCHEMBL453503 0.71 GSTO1 (0.63) GAAGSTO1MAPTMAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231594-B1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF UNIV RAMOT (IL) 2013-03-27 EP claimed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 US claimed
EP-2231594-A2 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF Ramot at Tel-Aviv University Ltd (IL) 2010-09-29 EP claimed
WO-2009071947-A2 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-06-11 WO claimed
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
US-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 US disclosed
EP-2231594-B1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF UNIV RAMOT (IL) 2013-03-27 EP disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
EP-2253615-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2010-11-24 EP disclosed
EP-2231594-A2 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF Ramot at Tel-Aviv University Ltd (IL) 2010-09-29 EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 EP disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2009071947-A2 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-06-11 WO disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 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 (5 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 CYP2C19 2447/4885IDH2 3094/4885EPHX2 900/4885
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 CYP2C19 1910/4885IDH2 3342/4885EPHX2 1539/4885
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF KCNN3, SCN2B, SCN1B CYP2C19 2337/4885IDH2 2074/4885EPHX2 4269/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 CYP2C19 3616/4885IDH2 2665/4885EPHX2 1340/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 CYP2C19 2153/4885IDH2 2596/4885EPHX2 1290/4885

“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.