SCHEMBL18960100

SCHEMBL18960100

CC(C)N(Cc1ccccc1)C(=O)[C@H](NCc1ccc2[nH]c(=O)ccc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
OGT O15294 2/20 0.44
KDM4E B2RXH2 3/20 0.43
TSHR P16473 3/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
MEP1B Q16820 2/20 0.37

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
SCHEMBL4544657 0.83 OGT (0.62) POLBRXFP1OGTKDM4ETSHR
SCHEMBL17405140 0.83 OGT (0.62) POLBRXFP1OGTKDM4ETSHR
SCHEMBL18960086 0.79 OGT (0.52) POLBRXFP1OGTKDM4EPKM
SCHEMBL18960088 0.79 OGT (0.52) POLBRXFP1OGTKDM4ETSHR
SCHEMBL12973141 0.76 OGT (0.53) POLBRXFP1OGTKDM4EPKM
SCHEMBL18960107 0.75 PDE3B (0.47) PKMMEN1KMT2ALMNAMAPT
SCHEMBL18960080 0.74 PKM (0.42) POLBPKMMEN1KMT2ALMNA
SCHEMBL18960074 0.73 TACR1 (0.41) POLBKDM4ETSHRPKMMEN1
SCHEMBL18960139 0.73 F2 (0.47) OGTTP53MEN1KMT2ALMNA
SCHEMBL18960120 0.73 OGT (0.73) POLBOGTKDM4ETSHRPKM

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-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-15 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-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF OGA, OGT, CSGALNACT1 POLB 1553/4885RXFP1 4820/4885OGT 2/4885

“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.