SCHEMBL5454576

SCHEMBL5454576

CC(=O)N[C@@H]([C]=O)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRAT P43155 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LGMN Q99538 8/20 0.31
ECE1 P42892 2/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL11557961 1.00 KDM4E (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2189450 0.82 KDM4E (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3381661 0.81 SMN1; SMN2 (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4599095 0.81 SMN1; SMN2 (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL11363514 0.80 DPP4 (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7352206 0.80 DPP4 (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1995208 0.80
SCHEMBL1995207 0.80
SCHEMBL3075720 0.78
SCHEMBL9545378 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010655-A1 Stationary phases and a purification process using the stationary phases MERCK & CO., INC. 2007-01-11 US disclosed
EP-1663275-A2 STATIONARY PHASES AND A PURIFICATION PROCESS USING THE STATIONARY PHASES Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005026323-A2 STATIONARY PHASES AND A PURIFICATION PROCESS USING THE STATIONARY PHASES MERCK & CO., INC. (US) 2005-03-24 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 (1 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-20070010655-A1 Stationary phases and a purification process using the stationary phases VIP, LPXN, PROKR1 KDM4E 4574/4885MAPT 4796/4885THRB 2162/4885

“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.