SCHEMBL5455229

SCHEMBL5455229

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
FPR1 P21462 5/20 0.41
FPR2 P25090 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
ALOX12 P18054 1/20 0.39
CNR1 P21554 1/20 0.39
MAPK1 P28482 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL5337976 0.85 FPR1 (0.43) IDH1FPR1FPR2ALDH1A1SMN1; SMN2
SCHEMBL6661476 0.85 FPR1 (0.43) IDH1FPR1FPR2ALDH1A1SMN1; SMN2
SCHEMBL5220710 0.84 FPR1 (0.41) IDH1FPR1FPR2ALDH1A1GAA
SCHEMBL5220717 0.84 FPR1 (0.41) IDH1FPR1FPR2ALDH1A1GAA
SCHEMBL5220112 0.84 FPR1 (0.41) IDH1FPR1FPR2UTS2RCNR1
SCHEMBL5764893 0.79 CNR1 (0.47) IDH1FPR2ALDH1A1GAASMN1; SMN2
SCHEMBL5221538 0.79 MAPT (0.38)
SCHEMBL5223980 0.79 MAPK14 (0.36) CNR1
SCHEMBL5218970 0.78 CYP3A4 (0.42) GAACYP3A4CYP2C19
SCHEMBL5223997 0.78 KIT (0.37) CNR1

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 2 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
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 IDH1 4240/4885FPR1 28/4885FPR2 52/4885

“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.