SCHEMBL11029901

SCHEMBL11029901

CCc1nc(C(=O)O)c(C=C[Si](C)(C)C)c(N)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL11029899 1.00 HCAR2 (0.35) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL11028132 0.85 NPSR1 (0.38)
SCHEMBL11028129 0.85 NPSR1 (0.38)
SCHEMBL11029010 0.82 TDP1 (0.41)
SCHEMBL11029006 0.82 TDP1 (0.41)
SCHEMBL11029502 0.74 DHODH (0.35) GABRA5
SCHEMBL1424210 0.73 TDP1 (0.51) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL14462624 0.71 HCAR2 (0.38) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL11030317 0.70 KMO (0.40)
SCHEMBL11030321 0.70 KMO (0.40)

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-8658568-B2 6-amino-2-substituted-5-vinylsilylpyrimidine-4-carboxylic acids and esters and 4-amino-6-substituted-3-vinylsilylpyridine-2-carboxylic acids and esters as herbicides DOW AGROSCIENCES, LLC. (US) 2014-02-25 US disclosed
EP-2667717-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES Dow AgroSciences LLC (US) 2013-12-04 EP disclosed
WO-2012103051-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-08-02 WO disclosed
US-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-07-26 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-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DDT, PFAS, WEE2 HCAR2 152/4885GABRP 658/4885GABRD 795/4885

“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.