SCHEMBL2822900

SCHEMBL2822900

CCOC(=O)CNC(N)=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 7/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.46
PPID Q08752 2/20 0.45
PPIB P23284 1/20 0.45
PPIA P62937 1/20 0.45
PPIG Q13427 1/20 0.45
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPA1 O75762 1/20 0.41
MMP3 P08254 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3309951 0.83 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13809612 0.81 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27707684 0.81 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27687085 0.80
SCHEMBL10470968 0.80 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4104132 0.79 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15290166 0.79 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5184954 0.78 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7089973 0.78 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7946756 0.78 PPID (0.62) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO disclosed
US-RE41289-E1 Ultrashort acting hypnotic barbiturates ARYX THERAPEUTICS, INC. (US) 2010-04-27 US disclosed
US-RE41289-E1 Ultrashort acting hypnotic barbiturates ARYX THERAPEUTICS, INC. (US) 2010-04-27 US disclosed
US-RE41289-E1 Ultrashort acting hypnotic barbiturates ARYX THERAPEUTICS, INC. (US) 2010-04-27 US disclosed
US-7041673-B2 High speed metabolism; antiepileptic agents; anesthetics; central nervous system disorders; anxiolytic agents ARYX THERAPEUTICS, INC. (US) 2006-05-09 US disclosed
US-20040167143-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2004-08-26 US disclosed
US-6683086-B2 DERIVATIVES OF BARBITURIC AND THIOBARBITURIC ACIDS; RAPIDLY METABOLIZED BY BLOOD AND TISSUE ENZYMES TO FORM POLAR METABOLITES WITH NO HYPNOTIC ACTIVITY AND WHICH ARE RAPIDLY ELIMINATED ARYX THERAPEUTICS 2004-01-27 US disclosed
US-20030100575-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-05-29 US disclosed
EP-1276728-A2 ULTRASHORT ACTING HYPNOTIC BARBITURATES ARYx Therapeutics (US) 2003-01-22 EP disclosed
US-6387914-B2 PROVIDING SEDATIVE-HYPNOTIC TREATMENT BY ADMINISTERING BARBITURATE DERIVATIVE COMPOUND ARYX THERAPEUTICS 2002-05-14 US disclosed
US-20020013330-A1 Ultrashort acting hypnotic barbiturates MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2002-01-31 US disclosed
WO-2001081319-A2 ULTRASHORT ACTING HYPNOTIC BARBITURATES ARYX THERAPEUTICS (US) 2001-11-01 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 (3 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-20040167143-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 GAA 1247/4885MGAM 1424/4885SI 815/4885
US-20030100575-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 GAA 1247/4885MGAM 1424/4885SI 815/4885
US-20020013330-A1 Ultrashort acting hypnotic barbiturates GABRR1, GABRA1, GABRR2 GAA 1247/4885MGAM 1424/4885SI 815/4885

“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.