Sugi Predict

Sugi Predict / Compounds / SCHEMBL4677063

SCHEMBL4677063

SCHEMBL4677063

CCOC(=O)C(=O)CSc1nc2cc(S(=O)(=O)O)ccc2[nH]1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL4678420 0.99 POLB (0.47) POLBCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4675197 0.85 POLB (0.51) POLBCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4674103 0.82 NPC1 (0.55) POLBCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL13695149 0.81 CYP1A2 (0.47) POLBCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4673796 0.80 MAPT (0.57) POLBCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL4674283 0.80 POLB (0.69) POLBMAPK1MAPTALDH1A1NPC1
SCHEMBL10765150 0.78 HDAC6 (0.42) POLBMAPK1MAPTALDH1A1LMNA
SCHEMBL13695150 0.78 BCHE (0.51) POLBMAPK1MAPTALDH1A1LMNA
SCHEMBL12754678 0.77 HDAC6 (0.46) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL10625696 0.76 BCHE (0.43) POLBCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 — — EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 — — US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 — — US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 — — US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 — — US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 — — US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 — — 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 (4 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 POLB 1181/4885CYP1A2 3092/4885CYP3A4 1615/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 POLB 1052/4885CYP1A2 1301/4885CYP3A4 500/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 POLB 1052/4885CYP1A2 1301/4885CYP3A4 500/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 POLB 1052/4885CYP1A2 1301/4885CYP3A4 500/4885

“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.