SCHEMBL10042018

SCHEMBL10042018

CCc1ccc(F)cc1OCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
P2RY1 P47900 1/20 0.34
IDO1 P14902 2/20 0.34

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
SCHEMBL26023956 0.84 L3MBTL1 (0.46) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL32670160 0.84 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL15713604 0.83 L3MBTL1 (0.52) KDM4EL3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL17689116 0.81 L3MBTL1 (0.42) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL8342657 0.81 KDM4E (0.47) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL15986618 0.80 MAPT (0.44) KDM4EL3MBTL1MAPTNPSR1HPGD
SCHEMBL4379691 0.80 ALDH1A1 (0.41) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL28185335 0.80 FFAR4 (0.52) NPSR1POLBFFAR1FFAR4PKM
SCHEMBL546111 0.79 TDP1 (0.38) L3MBTL1HPGDMEN1KMT2AALDH1A1
SCHEMBL6036124 0.79 BACE1 (0.48) MAOB

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-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-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
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 HDAC3 1125/4885HDAC1 808/4885HDAC2 861/4885

“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.