SCHEMBL4395573

SCHEMBL4395573

CCOc1cc(O)c(F)c(CC(=O)O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TSHR P16473 4/20 0.36
GAA P10253 3/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNMA1 Q12791 1/20 0.36
TOP2A P11388 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL4412766 0.86 TSHR (0.42) THRBRXRARXRBRXRGTSHR
SCHEMBL4406861 0.85 GAA (0.45) TSHRGAAMEN1MAPTKMT2A
SCHEMBL4414696 0.82 ALDH1A1 (0.34) THRBTSHRGAAALOX15MAPK1
SCHEMBL4399132 0.82 TSHR (0.41) THRBRXRARXRBRXRGTSHR
SCHEMBL4407643 0.79 TSHR (0.40) THRBTSHRGAAALOX15MAPK1
SCHEMBL4411877 0.79 GAA (0.47) TSHRGAAMEN1MAPTKMT2A
SCHEMBL4405901 0.77 MAPK1 (0.37) THRBTSHRGAAALOX15MAPK1
SCHEMBL4403330 0.77 TSHR (0.44) THRBRXRARXRBRXRGTSHR
SCHEMBL4404657 0.75 GAA (0.50) TSHRGAAMAPK1MAPTPTGS2
SCHEMBL4398918 0.74 MAPT (0.36) TSHRGAAALOX15MAPK1L3MBTL1

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 THRB 3243/4885RXRA 3990/4885RXRB 3638/4885

“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.