Sugi Predict

Sugi Predict / Compounds / SCHEMBL2349474

SCHEMBL2349474

SCHEMBL2349474

CCCCNC(C)C=CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ GABRA4 P48169 2/20 0.41
▸ GABRE P78334 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41
▸ GABRG1 Q8N1C3 2/20 0.41
▸ GABRG3 Q99928 2/20 0.41
▸ GABRQ Q9UN88 2/20 0.41
▸ ALOX15 P16050 1/20 0.38
▸ HCAR2 Q8TDS4 3/20 0.38

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
SCHEMBL2349467 1.00 ACHE (0.46) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL6281516 0.75 ACHE (0.44) ACHEBACE1GABRPGABRDGABRA1
SCHEMBL18432639 0.73 ALDH1A1 (0.36) ALOX15MEN1MAPK1KMT2AEPHX1
SCHEMBL246137 0.73 ALOX15 (0.41) ACHEALOX15MEN1FAAHMAPK1
SCHEMBL5600672 0.73 ALOX15 (0.41) ACHEALOX15MEN1FAAHMAPK1
Fumaric Acid SCHEMBL18696154 0.73 HCAR2 (0.43) ACHEBACE1HCAR2EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL22771734 0.72 ADH1B (0.33) ALDH1A1ADH1BADH1CADH1AADH7
Hydrochloric Acid SCHEMBL22771733 0.72 ADH1B (0.33) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL2363251 0.71 ACHE (0.46) ACHEALOX15KMT2AEPHX1ALDH1A1
SCHEMBL2363254 0.71 ACHE (0.46) ACHEALOX15KMT2AEPHX1ALDH1A1

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
US-20120330030-A1 Enantioselective Synthesis of y-amino-a, B-unsuturated carboxylic acid derivatives ACEMOGLU MURAT (CH) 2012-12-27 — — US disclosed
US-8288566-B2 Enantioselective synthesis of γ-amino-αβ-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2012-10-16 — — US disclosed
US-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2011-10-27 — — US disclosed
EP-2358663-A1 ENANTIOSELECTIVE SYNTHESIS OF -AMINO- , -UNSATURATED CARBOXYLIC ACID DERIVATIVES Novartis AG (CH) 2011-08-24 — — EP disclosed
WO-2010055162-A1 ENANTIOSELECTIVE SYNTHESIS OF γ-AMINO-α,β-UNSATURATED CARBOXYLIC ACID DERIVATIVES NOVARTIS AG (CH) 2010-05-20 — — 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 (2 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-20120330030-A1 Enantioselective Synthesis of y-amino-a, B-unsuturated carboxylic acid derivatives BCAT1, BCAT2, AADAT ACHE 3135/4885BACE1 1059/4885GABRP 110/4885
US-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives BCAT1, BCAT2, AADAT ACHE 3157/4885BACE1 818/4885GABRP 80/4885

“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.