SCHEMBL5832289

SCHEMBL5832289

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 11/20 0.54
MAPT P10636 4/20 0.47
ATM Q13315 1/20 0.47
CHEK1 O14757 1/20 0.46
CHEK2 O96017 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5202870 0.87 NPC1 (0.58) GRK6MAPTCHEK1CHEK2PDGFRB
SCHEMBL14409210 0.80 PDGFRB (0.47) MAPTCHEK1CHEK2PDGFRBPDGFRA
SCHEMBL6028508 0.77 FFAR1 (0.48) MAPTCHEK1CHEK2PDGFRBPDGFRA
SCHEMBL6652114 0.77 CHEK1 (0.47) MAPTCHEK1CHEK2PDGFRBPDGFRA
SCHEMBL5832416 0.76 PDGFRB (0.55) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL5832414 0.75 PDGFRB (0.54) CHEK1CHEK2PDGFRBPDGFRAALDH1A1
SCHEMBL342810 0.75 ALDH1A1 (0.53) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL4039887 0.75 L3MBTL1 (0.56) GRK6MAPTALDH1A1KDM4EGAA
SCHEMBL11046284 0.73 PDE4A (0.57) MAPTCHEK1CHEK2PDGFRBPDGFRA
SCHEMBL7161673 0.72 CHEK1 (0.48) MAPTCHEK1CHEK2PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167105-A1 CCR-3 receptor antagonists DU BOIS DAISY J 2006-07-27 US disclosed
US-7049317-B2 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-05-23 US disclosed
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
EP-1427696-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2004-06-16 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-20030119885-A1 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-06-26 US disclosed
WO-2003022799-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2003-03-20 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 (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 GRK6 275/4885MAPT 4134/4885ATM 1991/4885
US-20030119885-A1 CCR-3 receptor antagonists CCR1, CCR3, CCR4 GRK6 270/4885MAPT 4357/4885ATM 2459/4885
US-20060167105-A1 CCR-3 receptor antagonists CCR3, CCR1, CCR4 GRK6 342/4885MAPT 4308/4885ATM 1831/4885

“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.