SCHEMBL2648427

SCHEMBL2648427

COC(=O)c1ccc(CN(C(N)=S)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
LSS P48449 1/20 0.45
PDK1 Q15118 1/20 0.44
HDAC6 Q9UBN7 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MLYCD O95822 1/20 0.41
MAOB P27338 1/20 0.41
CETP P11597 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL16211626 0.79 PDK2 (0.42) PDK2PDK4LSSPDK1HDAC6
SCHEMBL16211664 0.77 MLYCD (0.57) HDAC6ALDH1A1GAAHPGDHSD17B10
SCHEMBL22218118 0.76 ALDH1A1 (0.45) PDK2PDK4LSSPDK1HDAC6
SCHEMBL22218121 0.76 PDK2 (0.43) PDK2PDK4LSSPDK1HDAC6
SCHEMBL15437084 0.76 CYP4A11 (0.58) LSSLOXL2KDM4EALDH1A1HPGD
SCHEMBL692912 0.76 SRD5A2 (0.59) LSSLOXL2KDM4EALDH1A1SMN1; SMN2
SCHEMBL16211371 0.76 SLC6A5 (0.41) PDK2PDK4LSSPDK1KDM4E
SCHEMBL16211388 0.76 SLC6A5 (0.41) PDK2PDK4LSSPDK1KDM4E
SCHEMBL16211373 0.76 SLC6A5 (0.41) PDK2PDK4LSSPDK1KDM4E
SCHEMBL385370 0.76 LMNA (0.60) LOXL2NPC1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256175-A1 Novel glucagon antagonists/inverse agonists LAU JESPER 2005-11-17 US disclosed
US-6881746-B2 Glucagon antagonists/inverse agonists NOVO NORDICK A/S (DK) 2005-04-19 US disclosed
EP-1519723-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-04-06 EP disclosed
US-20040014789-A1 Novel glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2004-01-22 US disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 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 (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-20040014789-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR PDK2 1735/4885PDK4 1012/4885LSS 3924/4885
US-20050256175-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR PDK2 1735/4885PDK4 1012/4885LSS 3924/4885

“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.