SCHEMBL3903052

SCHEMBL3903052

Nc1ccc(-c2ccc3c(c2)OCO3)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
SRC P12931 1/20 0.50
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.49
KIF11 P52732 1/20 0.46
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
PTPRC P08575 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 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
SCHEMBL1337704 0.86 CA12 (0.50) CA12CA2CA9SRCPTGS2
SCHEMBL5952330 0.83 KMT2A (0.56) CA12CA2CA9SRCPTGS2
SCHEMBL1337019 0.79 SRC (0.44) CA12CA2CA9SRCPTGS2
SCHEMBL6249208 0.79 CYP3A4 (0.61) CA12CA2CA9SRCPTGS2
SCHEMBL21933249 0.78 CYP19A1 (0.66) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29924944 0.78 ALDH1A1 (0.62) CA12CA2CA9KIF11MAPT
SCHEMBL1099003 0.78 ALDH1A1 (0.62) CA12CA2CA9KIF11MAPT
SCHEMBL14451001 0.77 CA12 (0.56) CA12CA2CA9SRCPTGS2
SCHEMBL3901839 0.77 CA12 (0.61) CA12CA2CA9SRCPTGS2
SCHEMBL22162812 0.76 CA12 (0.58) CA12CA2CA9SRCPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 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 (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-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CA12 1601/4885CA2 2768/4885CA9 2719/4885

“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.