SCHEMBL4404657

SCHEMBL4404657

COc1cc(O)c(F)c(CC(=O)O)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HMGCR P04035 3/20 0.43
HSD17B10 Q99714 2/20 0.42
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PTGS2 P35354 1/20 0.40
CA5A P35218 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4399141 0.89 GAA (0.47) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4406861 0.87 GAA (0.45) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4411877 0.87 GAA (0.47) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4403305 0.80 HMGCR (0.43) TSHRHMGCRHTTPTGESALOX5
SCHEMBL4405835 0.80 TSHR (0.46) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4404738 0.78 GAA (0.41) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL28603326 0.77 HMGCR (0.61) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL29835991 0.76 GAA (0.46) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4395979 0.76 GAA (0.46) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4395573 0.75 THRB (0.40) GAAALDH1A1TSHRNFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 GAA 1727/4885ALDH1A1 1779/4885TSHR 3028/4885

“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.