SCHEMBL4398646

SCHEMBL4398646

CCOc1cc(OC)c(F)c(C(=O)C(=O)O)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4398521 0.94 TSHR (0.44) TSHRMAPK1CYP3A4L3MBTL1MRGPRX4
SCHEMBL4403048 0.88 TSHR (0.41) TSHRMAPK1CYP3A4MRGPRX4MEN1
SCHEMBL4399166 0.88 LMNA (0.42) MAPK1CYP3A4MEN1KMT2ARAB9A
SCHEMBL4403276 0.88 TSHR (0.41) TSHRMAPK1CYP3A4MRGPRX4MEN1
SCHEMBL4398519 0.87 TSHR (0.51) TSHRMAPK1CYP3A4L3MBTL1MRGPRX4
SCHEMBL4410404 0.80 TSHR (0.47) TSHRMAPK1CYP3A4L3MBTL1MRGPRX4
SCHEMBL4405835 0.79 TSHR (0.46) TSHRMAPK1CYP3A4L3MBTL1MRGPRX4
SCHEMBL4412805 0.79 TSHR (0.47) TSHRMAPK1CYP3A4L3MBTL1MRGPRX4
SCHEMBL4408951 0.79 TSHR (0.47) TSHRMAPK1CYP3A4L3MBTL1MRGPRX4
SCHEMBL5382289 0.79 HTT (0.41) TSHRMAPK1CYP3A4MEN1KMT2A

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 TSHR 3028/4885MAPK1 91/4885CYP3A4 2224/4885

“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.