SCHEMBL10000227

SCHEMBL10000227

CNC(CC(C)=O)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
BIRC2 Q13490 1/20 0.33
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
CA14 Q9ULX7 1/20 0.31
MME P08473 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL12026892 0.82 TSHR (0.34) ALDH1A1TDP1MGAMGAASI
SCHEMBL28625413 0.82 TSHR (0.40) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL1891853 0.82 TSHR (0.40) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL16446319 0.82 KMT2A (0.36) ALDH1A1TDP1SMN1; SMN2BIRC2KMT2A
SCHEMBL14268340 0.82 KMT2A (0.36) ALDH1A1TDP1SMN1; SMN2BIRC2KMT2A
SCHEMBL13033614 0.82 TSHR (0.40) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL19699151 0.82 KMT2A (0.36) ALDH1A1TDP1SMN1; SMN2BIRC2KMT2A
SCHEMBL18020925 0.80 SMN1; SMN2 (0.42) ALDH1A1TDP1MGAMGAASI
Hydrochloric Acid SCHEMBL28899130 0.80 KMT2A (0.35) ALDH1A1TDP1SMN1; SMN2BIRC2KMT2A
Hydrochloric Acid SCHEMBL28450427 0.80 KMT2A (0.35) ALDH1A1TDP1SMN1; SMN2BIRC2KMT2A

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-20170348396-A1 Injectable solution at pH7 comprising at least one basal insulin the pI of which is from 5.8 to 8.5, a prandial insulin and/or a gastrointestinal hormone, and a co-polyamino acid bearing carboxylate charges and hydrophobic radicals ADOCIA (FR) 2017-12-07 US disclosed
US-20170348394-A1 COMPOSITIONS IN THE FORM OF AN INJECTABLE AQUEOUS SOLUTION COMPRISING HUMAN GLUCAGON AND A STATISTICAL CO-POLYAMINO ACID ADOCIA (FR) 2017-12-07 US disclosed
US-8778325-B2 Water-soluble and biodegradable antimicrobial agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2014-07-15 US disclosed
US-20120082638-A1 Water-Soluble and Biodegradable Antimicrobial Agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2012-04-05 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 (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-20170348394-A1 COMPOSITIONS IN THE FORM OF AN INJECTABLE AQUEOUS SOLUTION COMPRISING HUMAN GLUCAGON AND A STATISTICAL CO-POLYAMINO ACID GCG, GLP1R, IAPP ALDH1A1 3245/4885TDP1 3917/4885MGAM 883/4885
US-20120082638-A1 Water-Soluble and Biodegradable Antimicrobial Agent LBR, H1-0, B2M ALDH1A1 3165/4885TDP1 4124/4885MGAM 17/4885
US-20170348396-A1 Injectable solution at pH7 comprising at least one basal insulin the pI of which is from 5.8 to 8.5, a prandial insulin and/or a gastrointestinal hormone, and a co-polyamino acid bearing carboxylate charges and hydrophobic radicals IAPP, F7, GIPR ALDH1A1 4157/4885TDP1 4518/4885MGAM 2515/4885

“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.