SCHEMBL5220710

SCHEMBL5220710

COc1cc(NC(=O)N[C@H](CO)CCN2CC([S+]([O-])c3ccc(Cl)cc3)C2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.41
FPR2 P25090 4/20 0.41
UTS2R Q9UKP6 2/20 0.40
IDH1 O75874 1/20 0.38
CNR1 P21554 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5220717 1.00 FPR1 (0.41) FPR1FPR2UTS2RIDH1CNR1
SCHEMBL5455229 0.84 IDH1 (0.41) FPR1FPR2UTS2RIDH1CNR1
SCHEMBL5337976 0.84 FPR1 (0.43) FPR1FPR2UTS2RIDH1CNR1
SCHEMBL6661476 0.84 FPR1 (0.43) FPR1FPR2UTS2RIDH1CNR1
SCHEMBL5220112 0.82 FPR1 (0.41) FPR1FPR2UTS2RIDH1CNR1
SCHEMBL5222870 0.79 MAPT (0.35)
SCHEMBL5221282 0.79 MAPK14 (0.33) FPR2CNR1
SCHEMBL5222865 0.79 MAPT (0.35)
SCHEMBL5221271 0.79 MAPK14 (0.33) FPR2CNR1
SCHEMBL5759633 0.79 CNR1 (0.46) FPR1FPR2IDH1CNR1MAPK1

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 FPR1 28/4885FPR2 52/4885UTS2R 168/4885

“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.