SCHEMBL13178317

SCHEMBL13178317

CC(=O)N(CC(=O)NC(C)(C)C=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.52
CTSK P43235 2/20 0.52
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
RECQL P46063 1/20 0.44
CTSL P07711 2/20 0.43
MAN2A1 Q16706 1/20 0.43
MAN1B1 Q9UKM7 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL13137406 0.83 CTSS (0.54) CTSSCTSKALDH1A1KDM4EHPGD
SCHEMBL342937 0.76 LMNA (0.46) ALDH1A1HDAC1HDAC6RECQLMAN2A1
SCHEMBL11378089 0.74 LMNA (0.55) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL2117209 0.74 LMNA (0.62) ALDH1A1KDM4ELMNANPSR1MEN1
SCHEMBL1059560 0.72 LMNA (0.56) ALDH1A1MAN2A1MAN1B1LMNANPSR1
SCHEMBL805150 0.71 LMNA (0.45) ALDH1A1KDM4EHPGDHSD17B10MAN2A1
SCHEMBL13900616 0.71 LMNA (0.51) ALDH1A1RECQLLMNANPSR1MEN1
SCHEMBL9903332 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL16109508 0.69 HDAC1 (0.62) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL3836681 0.69 LMNA (0.72) ALDH1A1HPGDHSD17B10HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222548-A1 METHOD FOR PRODUCING CONDENSATION PRODUCTS FROM N-SUBSTITUTED GLYCINE DERIVATIVES(PEPTOIDS) BY SEQUENTIAL UGI-MULTICOMPONENT REACTIONS WESSJOHANN LUDGER 2010-09-02 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 (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-20100222548-A1 METHOD FOR PRODUCING CONDENSATION PRODUCTS FROM N-SUBSTITUTED GLYCINE DERIVATIVES(PEPTOIDS) BY SEQUENTIAL UGI-MULTICOMPONENT REACTIONS QPCT, GMPS, GMNN CTSS 1687/4885CTSK 1428/4885ALDH1A1 4882/4885

“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.