SCHEMBL13013129

SCHEMBL13013129

CC(C)(C)C(=O)N[C@H]1CCCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.59
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CXCR4 P61073 1/20 0.38
F2R P25116 1/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 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
SCHEMBL13013128 1.00 CCR2 (0.59) CCR2CA1CA2CA4ALDH1A1
SCHEMBL12788589 0.98 CCR2 (0.58) CCR2CA1CA2CA4ALDH1A1
SCHEMBL15199074 0.95 CCR2 (0.57) CCR2CA1CA2ALDH1A1KMT2A
SCHEMBL13967161 0.89 CCR2 (0.53) CCR2CA1CA2ALDH1A1
SCHEMBL24565369 0.79 HTT (0.46) CCR2CA1CA2CA4KMT2A
SCHEMBL6093270 0.79 HTT (0.46) CCR2CA1CA2CA4KMT2A
SCHEMBL9932237 0.78 GAA (0.50) CCR2CA1CA2KMT2A
SCHEMBL25981811 0.78 GAA (0.50) CCR2CA1CA2KMT2A
SCHEMBL999679 0.78 GAA (0.50) CCR2CA1CA2KMT2A
SCHEMBL2792237 0.77 MCL1 (0.42) CCR2CA1CA2CA4KMT2A

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-20100324089-A1 Anti-inflammatory composition CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-12-23 US disclosed
US-20100113518-A1 METHODS OF USING ANTI-INFLAMMATORY COMPOUNDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-05-06 US 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 (2 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-20100324089-A1 Anti-inflammatory composition TNF, IL1B, IL1A CCR2 85/4885CA1 3707/4885CA2 2542/4885
US-20100113518-A1 METHODS OF USING ANTI-INFLAMMATORY COMPOUNDS TNF, PTGES2, MMP8 CCR2 133/4885CA1 1142/4885CA2 1216/4885

“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.