SCHEMBL1114449

SCHEMBL1114449

CCCCCCCCCCCCS(=O)(=O)N[C@H]1CCCCNC1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.57
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CXCR4 P61073 1/20 0.53
HTT P42858 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
SCHEMBL1114596 1.00 CCR2 (0.57) CCR2CCR1CCR5CXCR4HTT
SCHEMBL1114581 1.00 CCR2 (0.57) CCR2CCR1CCR5CXCR4HTT
SCHEMBL1114535 1.00 CCR2 (0.57) CCR2CCR1CCR5CXCR4HTT
SCHEMBL1114766 1.00 CCR2 (0.57) CCR2CCR1CCR5CXCR4HTT
SCHEMBL31488325 0.77 CCR2 (0.63) CCR2CCR1CCR5CXCR4HTT
SCHEMBL3743288 0.76 CCR2 (0.61) CCR2CCR1CCR5CXCR4HTT
SCHEMBL14855848 0.76 PSEN1 (0.50) CCR2CCR1CCR5CXCR4HTT
SCHEMBL15810270 0.76 CCR2 (0.60) CCR2CCR1CCR5CXCR4HTT
SCHEMBL1114447 0.75 PSEN1 (0.38) CCR2CCR1CCR5CXCR4
SCHEMBL1114533 0.75 PSEN1 (0.38) CCR2CCR1CCR5CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CCR2 1075/4885CCR1 288/4885CCR5 1756/4885

“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.