SCHEMBL2946672

SCHEMBL2946672

CC(C)(C)NCC(=O)O.CC(NC(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MME P08473 2/20 0.34
ACE P12821 2/20 0.34
CPA1 P15085 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
SLC6A2 P23975 5/20 0.33
CHRNA1 P02708 4/20 0.33
CHRNG P07510 4/20 0.33
CHRNB1 P11230 4/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRND Q07001 4/20 0.33
SLC6A4 P31645 3/20 0.33

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
SCHEMBL2946675 1.00 SLC6A3 (0.36) SLC6A3ALDH1A1LMNAMAPTPTGS2
SCHEMBL43590 0.85 SLC6A3 (0.44) SLC6A3ALDH1A1MAPTMMEACE
SCHEMBL43589 0.85 SLC6A3 (0.44) SLC6A3ALDH1A1MAPTMMEACE
SCHEMBL289160 0.85 SLC6A3 (0.44) SLC6A3ALDH1A1MAPTMMEACE
SCHEMBL1716976 0.85 SLC6A3 (0.44) SLC6A3ALDH1A1MAPTMMEACE
Hydrochloric Acid SCHEMBL8190787 0.83 SLC6A3 (0.42) SLC6A3ALDH1A1MAPTMMEACE
Hydrochloric Acid SCHEMBL8190786 0.83 SLC6A3 (0.42) SLC6A3ALDH1A1MAPTMMEACE
Hydrochloric Acid SCHEMBL29399049 0.83 SLC6A3 (0.42) SLC6A3ALDH1A1MAPTMMEACE
SCHEMBL41886 0.80
SCHEMBL1717828 0.80 HMGCR (0.41) ALDH1A1LMNAMAPTPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080785-B2 Albumin fusion proteins NOVOZYMES BIOPHARMA DK A/S (DK) 2018-09-25 US disclosed
US-7785599-B2 Using interferon alpha chimera to treat and prevent cell proliferative and viral diseases HUMAN GENOME SCIENCES, INC. (US) 2010-08-31 US disclosed
US-20090285816-A9 Albumin Fusion Proteins HUMAN GENOME SCIENCES, INC. 2009-11-19 US disclosed
US-20090105140-A1 Albumin Fusion Proteins HUMAN GENOME SCIENCES, INC. 2009-04-23 US disclosed
US-20080267962-A1 Immunoglobulin fusion for treatment and prevention of cell proliferative and blood disorders HUMAN GENOME SCIENCES, INC. 2008-10-30 US disclosed
US-20080269127-A1 Protein C; kits; pharmacokinetics HUMAN GENOME SCIENCES, INC. 2008-10-30 US disclosed
US-20080269128-A1 Apolipoproteins; kits; pharmacokinetics HUMAN GENOME SCIENCES, INC. 2008-10-30 US disclosed
US-20080269125-A1 Factor IX polypeptide fusion for treatment and prevention of cell proliferative, inflammatory, respiratory system and blood disorders; enhancing half-live of serum polypeptides HUMAN GENOME SCIENCES, INC. 2008-10-30 US disclosed
US-20080269126-A1 Factor X polypeptide fusion for treatment and prevention of cell proliferative, inflammatory, respiratory system and blood disorders; prolonging half-lives of serum polypeptides HUMAN GENOME SCIENCES, INC. 2008-10-30 US disclosed
US-20080261877-A1 Antihemophilic factor; kits; pharmacokinetics HUMAN GENOME SCIENCES, INC. 2008-10-23 US disclosed
US-20080131399-A1 Using interferon alpha chimera to treat and prevent cell proliferative and viral diseases HUMAN GENOME SCIENCES, INC. 2008-06-05 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 (6 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-20080267962-A1 Immunoglobulin fusion for treatment and prevention of cell proliferative and blood disorders ALB, HDGF, HAVCR2 SLC6A3 2791/4885ALDH1A1 2744/4885LMNA 1599/4885
US-20080269126-A1 Factor X polypeptide fusion for treatment and prevention of cell proliferative, inflammatory, respiratory system and blood disorders; prolonging half-lives of serum polypeptides F13B, F11, PGF SLC6A3 4448/4885ALDH1A1 3658/4885LMNA 708/4885
US-20090285816-A9 Albumin Fusion Proteins ALB, FABP1, TTR SLC6A3 3290/4885ALDH1A1 2567/4885LMNA 1971/4885
US-20090105140-A1 Albumin Fusion Proteins ALB, FABP1, HDGF SLC6A3 3219/4885ALDH1A1 2350/4885LMNA 2158/4885
US-20080131399-A1 Using interferon alpha chimera to treat and prevent cell proliferative and viral diseases HDGF, IRF3, ALB SLC6A3 3715/4885ALDH1A1 1872/4885LMNA 1865/4885
US-20080269127-A1 Protein C; kits; pharmacokinetics ALB, FABP1, FABP3 SLC6A3 2722/4885ALDH1A1 3173/4885LMNA 433/4885

“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.