SCHEMBL5221271

SCHEMBL5221271

CCc1cc(NC(=O)N[C@H](CO)CCN2CC([S+]([O-])c3ccc(Cl)cc3)C2)on1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.33
MME P08473 1/20 0.33
USP30 Q70CQ3 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FPR2 P25090 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
SCHEMBL5221282 1.00 MAPK14 (0.33) MAPK14MMEUSP30CNR1CNR2
SCHEMBL5221747 0.87 ALK (0.34)
SCHEMBL5221735 0.87 ALK (0.34)
SCHEMBL5222870 0.86 MAPT (0.35) MAPK14CNR2
SCHEMBL5222865 0.86 MAPT (0.35) MAPK14CNR2
SCHEMBL5223980 0.84 MAPK14 (0.36) MAPK14MMEUSP30CNR1CNR2
SCHEMBL5227009 0.83 MAPK14 (0.34) MAPK14MMEUSP30CNR1CNR2
SCHEMBL5760492 0.81 MAPK14 (0.34) MAPK14MMEUSP30CNR1CNR2
SCHEMBL5220717 0.79 FPR1 (0.41) CNR1FPR2
SCHEMBL5220710 0.79 FPR1 (0.41) CNR1FPR2

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 MAPK14 2818/4885MME 2405/4885USP30 1097/4885

“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.