SCHEMBL1114580

SCHEMBL1114580

CCCCC(C)(C)C(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.38
AKR1B1 P15121 1/20 0.37
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
GPR84 Q9NQS5 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL29275052 0.98 ACLY (0.36) ACLYAKR1B1CA2MAPK1ACACB
SCHEMBL28323669 0.93 AKR1B1 (0.41) ACLYAKR1B1ACACBACACAPPARG
SCHEMBL5970077 0.91 CES2 (0.44) ACLYPPARGPPARDPPARAGPR84
SCHEMBL5166994 0.91 CES2 (0.44) ACLYPPARGPPARDPPARAGPR84
SCHEMBL8976725 0.91 CES2 (0.44) ACLYPPARGPPARDPPARAGPR84
SCHEMBL7613392 0.91 CES2 (0.44) ACLYPPARGPPARDPPARAGPR84
SCHEMBL18097881 0.91 CES2 (0.44) ACLYPPARGPPARDPPARAGPR84
Ammonia Solution, Strong SCHEMBL28378227 0.91 CES2 (0.39) ACLYAKR1B1ACACBACACAPPARG
Ammonia Solution, Strong SCHEMBL27461997 0.89 CES2 (0.42) ACLYPPARGPPARDPPARAGPR84
Ammonia Solution, Strong SCHEMBL27415100 0.89 CES2 (0.42) ACLYPPARGPPARDPPARAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ACLY 984/4885AKR1B1 359/4885CA2 760/4885

“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.