SCHEMBL6032404

SCHEMBL6032404

C=CCOC(=O)CC(=O)CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4767550 0.82 TSHR (0.48) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL27594587 0.79 TSHR (0.43) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL1933921 0.79 TSHR (0.43) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL57069 0.77 TSHR (0.52) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL2552585 0.77 TSHR (0.46) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL3333968 0.77 TDP1 (0.42) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL10405739 0.76 TSHR (0.44) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL5065087 0.76 TSHR (0.41) TSHRTDP1MAPTCACNA1BAPBA1
Lithium SCHEMBL31366079 0.75 TSHR (0.50) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL8865453 0.75 TSHR (0.50) TSHRTDP1MAPTCACNA1BAPBA1

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
US-20060100430-A1 Process for preparation of 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol LONZA AG (CH) 2006-05-11 US claimed
EP-1592672-A2 PROCESS FOR PREPARATION OF 2-ALKOXY-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL Lonza Ltd (CH) 2005-11-09 EP claimed
WO-2004066905-A3 PROCESS FOR PREPARATION OF 2-ALKOXY-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL LONZA AG (CH) 2005-01-20 WO claimed
WO-2004066905-A2 PROCESS FOR PREPARATION OF 2-ALKOXY-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL LONZA LTD (CH) 2004-08-12 WO claimed

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-20060100430-A1 Process for preparation of 2-alkoxy-6-(trifluoromethyl)pyrimidin-4-ol CLCN2, CLIC1, CLIC4 TSHR 678/4885TDP1 3883/4885MAPT 4517/4885

“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.