Sugi Predict

Sugi Predict / Compounds / Pivalate

Pivalate

Pivalate

SCHEMBL5769320

CC(C)(C)C(=O)O.NC1CCNCC1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 4/20 0.43
▸ GABRB2 P47870 3/20 0.43
▸ GABRA1 P14867 3/20 0.43
▸ GABRA4 P48169 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ GABRA6 Q16445 2/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRE P78334 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ GABRG1 Q8N1C3 1/20 0.43
▸ GABRG3 Q99928 1/20 0.43
▸ GABRQ Q9UN88 1/20 0.43
▸ ARG1 P05089 1/20 0.37
▸ ARG2 P78540 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL31525039 0.83 GABRA5 (0.43) GABRA5GABRB2GABRA1GABRA4TSHR
Trifluoroacetic Acid SCHEMBL28212086 0.83 GABRA5 (0.43) GABRA5GABRB2GABRA1GABRA4TSHR
Carbamic Acid SCHEMBL7512746 0.81 GABRA5 (0.50) GABRA5GABRB2GABRA1GABRA4TSHR
SCHEMBL27766880 0.80 GABRA5 (0.38) GABRA5GABRB2GABRA1GABRA4TSHR
Pivalate SCHEMBL2721864 0.80 GABRA5 (0.44) GABRA5GABRB2GABRA1GABRA4TSHR
Pivalate SCHEMBL27850204 0.79 ALDH1A1 (0.35) GABRA5GABRB2GABRA1GABRA4TSHR
Propionic Acid SCHEMBL27493235 0.78 GABRA5 (0.45) GABRA5GABRB2GABRA1GABRA4TSHR
Methyl Alcohol SCHEMBL28212267 0.78 — —
Pivalate SCHEMBL27543436 0.78 TSHR (0.42) GABRA5GABRB2GABRA1GABRA4TSHR
Pivalate SCHEMBL28006783 0.78 PLG (0.44) GABRA5GABRB2GABRA1GABRA4TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692141-A1 SUBSTITUTED 3-AMINO-THIENO¬2,3-B| PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 — — EP disclosed
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-18 — — US disclosed
WO-2005056562-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 — — 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-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKG, IKBKE GABRA5 1640/4885GABRB2 2105/4885GABRA1 1605/4885

“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.