SCHEMBL4597441

SCHEMBL4597441

Cc1nc(Oc2ccc(C(=O)OC(C)(C)C)cc2)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
ELANE P08246 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4596740 0.85 MAPT (0.38) ALDH1A1LMNATSHRNPSR1MAP4K4
SCHEMBL4597491 0.85 ALDH1A1 (0.53) ALDH1A1LMNATSHRNPSR1CA1
SCHEMBL3980466 0.82 TDP1 (0.44) ALDH1A1MAP4K4CA1CA2KDM4E
SCHEMBL4597297 0.81 PTPN1 (0.40) ALDH1A1LMNAMAP4K4KDM4EGAA
SCHEMBL4609795 0.79 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL4140304 0.78 KDM4E (0.46) ALDH1A1LMNAMAP4K4KDM4EGAA
SCHEMBL4597726 0.77 KDM4E (0.60) ALDH1A1LMNAKDM4EGAAL3MBTL1
SCHEMBL4598347 0.76 ALDH1A1 (0.50) ALDH1A1LMNANPSR1MAP4K4KDM4E
SCHEMBL5572824 0.76 KDM4E (0.43) ALDH1A1LMNANPSR1MAP4K4KDM4E
SCHEMBL5573786 0.76 ABCG2 (0.37) ALDH1A1LMNAABCG2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
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 ALDH1A1 3484/4885LMNA 4700/4885TSHR 2129/4885

“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.