SCHEMBL392605

SCHEMBL392605

CCC#Cc1ccc(F)cc1OCOC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
XDH P47989 1/20 0.32
KDM4E B2RXH2 1/20 0.30
PTPN1 P18031 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
SCHEMBL12634560 0.81 PTGDR2 (0.40) PTGDR2FFAR1FFAR4
SCHEMBL5747161 0.80 PTGDR2 (0.38) PTGDR2FFAR1FFAR4XDH
SCHEMBL550471 0.74 ALDH1A1 (0.38) KDM4E
SCHEMBL12134820 0.73 PTGDR2 (0.33) PTGDR2
SCHEMBL546111 0.73 TDP1 (0.38)
SCHEMBL29940793 0.73 XDH (0.51) FFAR1FFAR4XDHKDM4E
SCHEMBL28867665 0.73 XDH (0.51) FFAR1FFAR4XDHKDM4E
SCHEMBL12134876 0.72 PTGDR2 (0.34) PTGDR2
SCHEMBL10013572 0.72 GRM5 (0.36) PTGDR2FFAR1FFAR4
SCHEMBL10042018 0.72 HDAC3 (0.37) FFAR1FFAR4KDM4EPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101761-B2 (E)-N-{3-[1-(8-fluoro-11H-10-OXA-1-AZA-dibenzo [A,D] cyclohepten-5ylidene)-propyl]-phenyl}-methanesulfonamide as glucocorticoid receptor modulator for the treatment of rheumatoid arthritis ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101761-B2 (E)-N-{3-[1-(8-fluoro-11H-10-OXA-1-AZA-dibenzo [A,D] cyclohepten-5ylidene)-propyl]-phenyl}-methanesulfonamide as glucocorticoid receptor modulator for the treatment of rheumatoid arthritis ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-2231676-B1 (E)-N-{3-[1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO-[A,D]-CYCLOHEPTEN-5-YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS LILLY CO ELI (US) 2011-08-31 EP disclosed
EP-2231676-B1 (E)-N-{3-[1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO-[A,D]-CYCLOHEPTEN-5-YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS LILLY CO ELI (US) 2011-08-31 EP disclosed
US-20100280062-A1 (E)-N--METHANESULFONAMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 2010-11-04 US disclosed
US-20100280062-A1 (E)-N--METHANESULFONAMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 2010-11-04 US disclosed
EP-2231676-A1 (E)-N-{3-[1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO[A,D]-CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID Eli Lilly & Company (US) 2010-09-29 EP disclosed
WO-2009089312-A1 (E)-N-{3- [1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO [A,D] CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ELI LILLY AND COMPANY (US) 2009-07-16 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-20100280062-A1 (E)-N--METHANESULFONAMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS NR3C1, NR3C2, MC2R PTGDR2 153/4885FFAR1 90/4885FFAR4 182/4885

“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.