Sugi Predict

Sugi Predict / Compounds / SCHEMBL4300396

SCHEMBL4300396

SCHEMBL4300396

CC(=O)C(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 10/20 0.72
▸ SLC6A4 P31645 5/20 0.70
▸ HRH3 Q9Y5N1 2/20 0.70
▸ SLC6A2 P23975 4/20 0.57
▸ SLC6A3 Q01959 4/20 0.57
▸ KCNK2 O95069 2/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ CACNA1C Q13936 2/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ MTOR P42345 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ HTR2C P28335 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ TP53 P04637 1/20 0.57

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
SCHEMBL13780465 0.90 SLC6A9 (0.77) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL7943023 0.86 SLC6A9 (0.72) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL5269933 0.85 SLC6A9 (0.71) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
Oxalic Acid SCHEMBL7317614 0.85 SLC6A4 (0.88) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050309 0.84 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL7939788 0.84 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050312 0.84 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050299 0.84 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050304 0.84 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050308 0.84 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3

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-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 — — US claimed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 — — WO claimed
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 — — US disclosed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 — — 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-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same PC, PDK1, PDK2 SLC6A9 1231/4885SLC6A4 1528/4885HRH3 4471/4885

“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.