SCHEMBL72463

SCHEMBL72463

CCCS(=O)(=O)NC(=O)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
CCR6 P51684 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
JAK2 O60674 1/20 0.33
PRKCG P05129 1/20 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
SCHEMBL4602875 0.85 FAAH (0.40)
SCHEMBL7991035 0.84 HDAC3 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4766625 0.82 MEN1 (0.40) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL16181435 0.80 HSP90AA1 (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL26244153 0.79 APP (0.41) MEN1KMT2AATMALDH1A1MAPK1
SCHEMBL3351216 0.79 KCNA5 (0.35) MEN1KMT2AATMALDH1A1CA1
SCHEMBL13768085 0.79 SCN9A (0.33) MEN1KMT2AATMKDM4EMAPT
SCHEMBL5154677 0.78 KDM4E (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7987882 0.78 HPGD (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL3349174 0.77 KCNA5 (0.35) MEN1KMT2AATMCA1CYP2C9

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-8129343-B2 Acylated GLP-1 compounds NOVO NORDISK A/S (DK) 2012-03-06 US disclosed
US-20090156478-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2009-06-18 US disclosed
US-20080207507-A1 Extended Glp-1 Compounds NOVO NORDISK A/S (DK) 2008-08-28 US disclosed
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 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 (2 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-20080207507-A1 Extended Glp-1 Compounds GLP1R, GIPR, IAPP MEN1 357/4885KMT2A 4148/4885ATM 4539/4885
US-20090156478-A1 Acylated GLP-1 Compounds GLP1R, GIPR, GCGR MEN1 922/4885KMT2A 2972/4885ATM 4381/4885

“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.