SCHEMBL5798569

SCHEMBL5798569

O=C(CC(=O)C(F)(F)F)c1ccc(I)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.70
PLOD3 O60568 2/20 0.62
PLOD1 Q02809 2/20 0.62
TRPV1 Q8NER1 3/20 0.47
TPMT P51580 1/20 0.43
PTPN1 P18031 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PDPK1 O15530 1/20 0.39
GSK3B P49841 2/20 0.39
CES1 P23141 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1095373 0.82 PLOD2 (0.72) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL711849 0.82 PLOD2 (1.00) PLOD2PLOD3PLOD1PTPN1CA1
SCHEMBL584065 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL313164 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1PTPN1PDPK1
SCHEMBL583455 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1PTPN1CA1
SCHEMBL1593867 0.81 PLOD2 (0.70) PLOD2PLOD3PLOD1PTPN1CA2
SCHEMBL523476 0.80 PLOD2 (0.69) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL14013115 0.79 PLOD2 (0.68) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL10613378 0.79 PLOD2 (0.68) PLOD2PLOD3PLOD1PTPN1CA2
SCHEMBL10613054 0.78 PLOD2 (0.67) PLOD2PLOD3PLOD1PTPN1GSK3B

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
WO-2006036777-A2 DIAGNOSIS OF DISEASES ASSOCIATED WITH COX-2 EXPRESSION UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2006-04-06 WO disclosed
US-20060067879-A1 Diagnosis of diseases associated with COX-2 expression UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-03-30 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-20060067879-A1 Diagnosis of diseases associated with COX-2 expression PTGES2, PTGS2, PTGER2 PLOD2 295/4885PLOD3 1562/4885PLOD1 706/4885

“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.