SCHEMBL5203300

SCHEMBL5203300

COc1ccc(-c2cnc(CC(O)=S)nc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
FYN P06241 2/20 0.47
GAK O14976 8/20 0.44
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
KIT P10721 1/20 0.43
DYRK1A Q13627 1/20 0.43
AAK1 Q2M2I8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HPGDS O60760 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5202865 0.86 PDGFRB (0.47) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL5203291 0.81 CHEK1 (0.48) PDGFRBPDGFRAFYNCHEK1CHEK2
SCHEMBL5936909 0.78 PDGFRB (0.54) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL6028508 0.77 FFAR1 (0.48) PDGFRBPDGFRAFYNCHEK1CHEK2
SCHEMBL5202877 0.75 PDGFRB (0.48) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL3769943 0.73 PDGFRB (0.58) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL6029081 0.73 PDGFRB (0.58) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL5202742 0.72 RAB9A (0.48) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL8840880 0.71 PDE4A (0.67) PDGFRBPDGFRAALDH1A1KDM4EGAA
SCHEMBL2399663 0.71 CA2 (0.59) ALDH1A1KDM4EGAAHPGDLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358181-B1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1358181-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists KERTESZ DENIS JOHN (US) 2003-10-23 US disclosed
US-6552028-B2 Inhibiting the binding of eotaxin to chemokine-3 (ccr-3) receptor; antiasthmatics SYNTEX (U.S.A.) LLC 2003-04-22 US disclosed
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2002-12-26 US disclosed
WO-2002050064-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO 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 (2 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-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 PDGFRB 218/4885PDGFRA 222/4885FYN 2854/4885
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 PDGFRB 218/4885PDGFRA 222/4885FYN 2854/4885

“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.