SCHEMBL5223997

SCHEMBL5223997

CCc1cc(NC(=O)N[C@H](CO)CCN2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)no1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.37
AURKA O14965 3/20 0.36
KDR P35968 3/20 0.36
FLT3 P36888 3/20 0.36
ALK Q9UM73 1/20 0.34
CNR2 P34972 2/20 0.34
ENPP2 Q13822 1/20 0.34
CNR1 P21554 1/20 0.34
KMT2A Q03164 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL5223980 0.87 MAPK14 (0.36) KDRCNR2CNR1
SCHEMBL5221735 0.85 ALK (0.34) KITAURKAKDRFLT3ALK
SCHEMBL5221747 0.85 ALK (0.34) KITAURKAKDRFLT3ALK
SCHEMBL5224539 0.84 HSD17B10 (0.35) KITAURKAKDRFLT3ALK
SCHEMBL5221538 0.82 MAPT (0.38) CNR2ENPP2KMT2A
SCHEMBL5761648 0.81 SMYD3 (0.34) KITAURKAKDRFLT3CNR2
SCHEMBL5223131 0.79 POLB (0.49) KMT2A
SCHEMBL5823724 0.79 POLB (0.49) KMT2A
SCHEMBL5455229 0.78 IDH1 (0.41) CNR1
SCHEMBL5218970 0.78 CYP3A4 (0.42) CNR2ENPP2KMT2A

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 KIT 1096/4885AURKA 4217/4885KDR 3211/4885

“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.