SCHEMBL5224539

SCHEMBL5224539

CCc1cc(NC(=O)N[C@H](CO)CCN2CC(Sc3ccc(Cl)cc3)C2)no1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
ALK Q9UM73 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KIT P10721 7/20 0.34
AURKA O14965 3/20 0.33
KDR P35968 3/20 0.33
FLT3 P36888 3/20 0.33
ENPP2 Q13822 1/20 0.33
RPS6KA3 P51812 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RPS6KA2 Q15349 1/20 0.31

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
SCHEMBL5227009 0.87 MAPK14 (0.34) HSD17B10SMN1; SMN2KMT2AALDH1A1
SCHEMBL5223997 0.84 KIT (0.37) ALKKITAURKAKDRFLT3
SCHEMBL5221735 0.83 ALK (0.34) ALKSMN1; SMN2KITAURKAKDR
SCHEMBL5221747 0.83 ALK (0.34) ALKSMN1; SMN2KITAURKAKDR
SCHEMBL5221796 0.82 MAPT (0.36) ENPP2KMT2AALDH1A1
SCHEMBL5760878 0.80 SMN1; SMN2 (0.37) HSD17B10ALKSMN1; SMN2KITAURKA
SCHEMBL5221619 0.79 POLB (0.49) HSD17B10SMN1; SMN2KMT2AALDH1A1
SCHEMBL5220112 0.78 FPR1 (0.41)
SCHEMBL5220580 0.78 CYP3A4 (0.42) ENPP2KMT2A
SCHEMBL5219319 0.74 DRD2 (0.40) SMN1; SMN2ALDH1A1

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 HSD17B10 4493/4885ALK 1014/4885SMN1; SMN2 2678/4885

“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.