SCHEMBL4674353

SCHEMBL4674353

CCOC(=O)C(=O)CSc1nc2ccc(OC)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
CYP1A2 P05177 6/20 0.64
CYP2D6 P10635 6/20 0.64
CYP2C19 P33261 6/20 0.64
CYP3A4 P08684 5/20 0.64
CYP2C9 P11712 5/20 0.64
CYP2E1 P05181 4/20 0.64
CYP2C8 P10632 4/20 0.64
CYP2B6 P20813 4/20 0.64
FPR2 P25090 2/20 0.63
MAPT P10636 2/20 0.63
CLK1 P49759 1/20 0.63
FPR1 P21462 1/20 0.63
PRMT5 O14744 2/20 0.62
WDR77 Q9BQA1 2/20 0.62
ALDH1A1 P00352 4/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
ALPL P05186 1/20 0.61

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
SCHEMBL4674103 0.91 NPC1 (0.55) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL30406237 0.88 NPC1 (0.69) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2554433 0.88 NPC1 (0.69) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL4678921 0.82 MAPT (0.70) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL4674283 0.82 POLB (0.69) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL4675291 0.81 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL4675296 0.81 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL4675197 0.80 POLB (0.51) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL5391948 0.80 CYP1A2 (0.76) NPC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL27203365 0.80 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP claimed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP claimed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US claimed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP claimed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US claimed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US claimed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO claimed
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 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
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013656-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
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 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 (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 NPC1 1554/4885RAB9A 4830/4885CYP1A2 3092/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 NPC1 1767/4885RAB9A 4813/4885CYP1A2 1301/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 NPC1 1767/4885RAB9A 4813/4885CYP1A2 1301/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 NPC1 1767/4885RAB9A 4813/4885CYP1A2 1301/4885

“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.