SCHEMBL4597842

SCHEMBL4597842

CCOC(=O)C1CCN(C(=O)c2ccc(COS(C)(=O)=O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
GLA P06280 1/20 0.57
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL4172039 0.84 TSHR (0.67) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL4598393 0.83 TSHR (0.66) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL14409571 0.81 TSHR (0.70) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL3339277 0.79 TSHR (0.67) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL314589 0.79 TSHR (0.75) TSHRGLAKMT2AALDH1A1MEN1
SCHEMBL6973124 0.79 GAA (0.73) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL30774072 0.78 KCNH2 (0.78) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL1895548 0.78 KCNH2 (0.78) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL6504430 0.77 KMT2A (0.74) TSHRGLAKMT2AALDH1A1POLB
SCHEMBL4468382 0.76 GAA (0.64) TSHRGLAKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 TSHR 2129/4885GLA 4694/4885KMT2A 4627/4885

“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.