SCHEMBL6028508

SCHEMBL6028508

COc1ccc(-c2cnc(CCC(=O)O)nc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
CHEK1 O14757 1/20 0.47
CHEK2 O96017 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
FYN P06241 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
AAK1 Q2M2I8 3/20 0.44
AURKB Q96GD4 4/20 0.43
YES1 P07947 2/20 0.43
MAPK1 P28482 2/20 0.43

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) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL5202870 0.80 NPC1 (0.58) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL27637469 0.80 FFAR1 (0.59) FFAR1FFAR4MEN1KMT2APDE4A
SCHEMBL5203291 0.79 CHEK1 (0.48) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL5203300 0.77 PDGFRB (0.49) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL5832289 0.77 GRK6 (0.54) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL5936909 0.76 PDGFRB (0.54) CHEK1CHEK2PDGFRBPDGFRAFYN
SCHEMBL5773168 0.74 S1PR1 (0.48) FFAR1ALDH1A1MEN1KMT2ANPC1
SCHEMBL11046284 0.74 PDE4A (0.57) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL7161673 0.73 CHEK1 (0.48) CHEK1CHEK2PDGFRBPDGFRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 FFAR1 349/4885FFAR4 415/4885CHEK1 531/4885
US-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 FFAR1 481/4885FFAR4 420/4885CHEK1 1219/4885
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 FFAR1 481/4885FFAR4 420/4885CHEK1 1219/4885

“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.