SCHEMBL1114729

SCHEMBL1114729

CCCCCCCC(O)C(C)(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.55
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CA2 P00918 1/20 0.46
HSPD1 P10809 1/20 0.45
BLM P54132 1/20 0.45
HSPE1 P61604 1/20 0.45
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44

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
SCHEMBL8431623 0.90 FFAR1 (0.52) FFAR1FFAR4MAPTPPARDBLM
SCHEMBL10583434 0.83 CHRM1 (0.42) GPR84FFAR1CA2GRIK1GRIK2
SCHEMBL27747090 0.82 GPR84 (0.52) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL688517 0.82 GPR84 (0.50) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL5702669 0.82 GPR84 (0.50) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL9190709 0.82 GPR84 (0.55) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL11836944 0.82 GPR84 (0.50) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL23197897 0.80 FDPS (0.52) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL5970293 0.80 ACE2 (0.48) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL7148025 0.80 GPR84 (0.53) GPR84FFAR1FFAR4MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP claimed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US claimed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP claimed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO claimed
CN-103393691-A Anti-inflammatory agents UNIV CAMBRIDGE TECH 2013-11-20 CN disclosed
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP disclosed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP disclosed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP disclosed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US disclosed
CN-1897953-A Anti-inflammatory agents UNIV CAMBRIDGE TECH (GB) 2007-01-17 CN disclosed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP disclosed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 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-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents SMURF1, SMURF2, PSEN1 GPR84 2791/4885FFAR1 177/4885FFAR4 1031/4885

“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.