SCHEMBL7809493

SCHEMBL7809493

CC(C)(C)OC(=O)NC1CNCC1CO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM1A O60341 1/20 0.37
BTK Q06187 1/20 0.37
REN P00797 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GFER P55789 1/20 0.35
CTSK P43235 2/20 0.35

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
SCHEMBL29560346 1.00 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL19098270 1.00 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL21725322 1.00 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL19098269 1.00 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL8564507 0.88 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL8559748 0.88 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL8559743 0.88 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL8559648 0.88 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL2184286 0.88 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1
SCHEMBL2182196 0.88 GAA (0.39) GAAEPHX1TDP1EPHX2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 US disclosed
EP-2892899-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
WO-2014039595-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-13 WO disclosed
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
US-5496951-A 1-CYCLOPROPYL-6-FLUORO-8-FLUORINATED METHOXY COMPOUNDS INCLUDING BORON DIFLUORIDE CHELATE; CHEMICAL INTERMEDIATES AND ANTIBACTERIAL AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-05 US disclosed
US-5436367-A 3, 4-difluorobenzoic acid derivatives SANKO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0352123-B1 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-01-18 EP disclosed
US-5348961-A Antibacterial agents SANKYO COMPANY LIMITED (JP) 1994-09-20 US disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
US-5073556-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-12-17 US disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 EP 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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 GAA 2044/4885EPHX1 2703/4885TDP1 4112/4885

“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.