SCHEMBL4040319

SCHEMBL4040319

CC(C)(C)OC(=O)c1cc[c]c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
SLC7A5 Q01650 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALOX15 P16050 1/20 0.36
HTR7 P34969 1/20 0.36
GABRA5 P31644 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
SRD5A1 P18405 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
STAT3 P40763 2/20 0.33

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
SCHEMBL6950110 0.81 SLC7A5 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL422919 0.81 CA1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6349308 0.80 SLC7A5 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28916660 0.79 SLC7A5 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27621204 0.78 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3149483 0.77 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL543053 0.74 CA12 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3391247 0.74 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL22831626 0.74 CA1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL4208340 0.74 CES2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2

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
CN-101460475-A 2- (pyridin-2-yl) -pyrimidines as fungicides BASF SE (DE) 2009-06-17 CN disclosed
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides BASF SE (DE) 2009-04-23 US disclosed
EP-2010515-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 EP disclosed
WO-2007116079-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO 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-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides CBR3, CBR1, CNPY2 GABRA1 1832/4885GABRG2 2113/4885GABRB3 1773/4885

“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.