SCHEMBL1114880

SCHEMBL1114880

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
GPR84 Q9NQS5 7/20 0.46
PRSS1 P07477 3/20 0.45
CTSG P08311 3/20 0.45
CTRB1 P17538 3/20 0.45
CMA1 P23946 3/20 0.45
FFAR1 O14842 2/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
BIRC2 Q13490 1/20 0.40

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
SCHEMBL29010403 0.84 ZDHHC7 (0.49) ZDHHC7USP2LMNAGPR84PRSS1
SCHEMBL27553218 0.82 ZDHHC7 (0.47) ZDHHC7USP2LMNAGPR84PRSS1
SCHEMBL8976729 0.82 ZDHHC7 (0.47) ZDHHC7USP2LMNAGPR84PRSS1
SCHEMBL7613397 0.82 ZDHHC7 (0.47) ZDHHC7USP2LMNAGPR84PRSS1
SCHEMBL5186285 0.82 ZDHHC7 (0.47) ZDHHC7USP2LMNAGPR84PRSS1
SCHEMBL5167002 0.82 ZDHHC7 (0.47) ZDHHC7USP2LMNAGPR84PRSS1
SCHEMBL18097883 0.82 ZDHHC7 (0.47) ZDHHC7USP2LMNAGPR84PRSS1
Hydrochloric Acid SCHEMBL28052365 0.81 ZDHHC7 (0.46) ZDHHC7USP2LMNAGPR84PRSS1
SCHEMBL22573795 0.80 PRSS1 (0.46) ZDHHC7USP2LMNAPRSS1CTSG
SCHEMBL1114729 0.79 GPR84 (0.55) GPR84FFAR1CA2FFAR4

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 ZDHHC7 1039/4885USP2 3085/4885LMNA 2356/4885

“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.