SCHEMBL3748739

SCHEMBL3748739

O=C1NCCCC[C@@H]1NS(=O)(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.50
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CXCR4 P61073 1/20 0.39

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
SCHEMBL3743288 0.79 CCR2 (0.61) CCR2HTTCCR1CCR5CXCR4
SCHEMBL13483780 0.75 CCR2 (0.55) CCR2HTTRAB9ACCR1CCR5
SCHEMBL12799205 0.75 CCR2 (0.55) CCR2HTTRAB9ACCR1CCR5
SCHEMBL3742895 0.74 CCR2 (0.56) CCR2HTTRAB9AMMP1
SCHEMBL3215740 0.73 CCR2 (0.50) CCR2RAB9AALDH1A1
SCHEMBL1877899 0.72 ALDH1A1 (0.51) RAB9AALDH1A1
SCHEMBL1876072 0.72 ALDH1A1 (0.51) RAB9AALDH1A1
SCHEMBL29346025 0.72 HTT (0.69) CCR2HTTRAB9AALDH1A1CCR1
SCHEMBL3748736 0.71 CA1 (0.36) HTTALDH1A1
SCHEMBL14010728 0.71 CCR2 (0.54) CCR2HTTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US claimed
US-20100292213-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-11-18 US claimed

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-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 CCR2 121/4885HTT 3616/4885RAB9A 2291/4885

“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.