SCHEMBL4403330

SCHEMBL4403330

CCOc1cc(OCC)c(F)c(CC(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 2/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.37
PTGS2 P35354 2/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 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
SCHEMBL4405835 0.95 TSHR (0.46) TSHRCYP3A4THRBRXRARXRB
SCHEMBL4399132 0.85 TSHR (0.41) TSHRCYP3A4THRBRXRARXRB
SCHEMBL4399141 0.83 GAA (0.47) TSHRCYP3A4HSD17B10RAB9AKDM4E
SCHEMBL4412766 0.83 TSHR (0.42) TSHRCYP3A4THRBRXRARXRB
SCHEMBL4411829 0.81 RXRA (0.44) TSHRTHRBRXRARXRBRXRG
SCHEMBL4403779 0.79 AKR1B1 (0.46) TSHRTHRBRXRARXRBRXRG
SCHEMBL4410404 0.78 TSHR (0.47) TSHRCYP3A4THRBL3MBTL1GLA
SCHEMBL4398340 0.77 TSHR (0.41) TSHRCYP3A4THRBL3MBTL1HSD17B10
SCHEMBL4407638 0.77 HSD17B10 (0.43) TSHRCYP3A4THRBRXRARXRB
SCHEMBL22066838 0.77 RXRA (0.40) TSHRCYP3A4THRBRXRARXRB

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 3028/4885CYP3A4 2224/4885THRB 3243/4885

“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.