SCHEMBL5222865

SCHEMBL5222865

CCc1cc(NC(=O)N[C@H](CO)CCN2CC([S+]([O-])c3ccc(Cl)cc3)C2)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 2/20 0.34
CNR2 P34972 1/20 0.33
NTRK1 P04629 3/20 0.33
KCNJ6 P48051 3/20 0.30
KCNJ5 P48544 3/20 0.30
KCNJ3 P48549 3/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5222870 1.00 MAPT (0.35) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5219567 0.87 NTRK1 (0.41) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5219563 0.87 NTRK1 (0.41) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5221271 0.86 MAPK14 (0.33) MAPK14CNR2
SCHEMBL5221282 0.86 MAPK14 (0.33) MAPK14CNR2
SCHEMBL5221538 0.84 MAPT (0.38) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5333712 0.83 MAPT (0.36) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5221796 0.83 MAPT (0.36) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5221735 0.82 ALK (0.34) KMT2AENPP2
SCHEMBL5221747 0.82 ALK (0.34) KMT2AENPP2

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
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US claimed
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 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 (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-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 MAPT 4418/4885MAPK13 2064/4885MAPK12 2646/4885

“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.