SCHEMBL211425

SCHEMBL211425

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.54
PIM3 Q86V86 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
HPGD P15428 2/20 0.47
PTPN1 P18031 10/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL211424 1.00 PIM1 (0.54) PIM1PIM3PIM2HPGDPTPN1
SCHEMBL210424 0.80 PIM1 (0.54) PIM1PIM3PIM2HPGDPTPN1
SCHEMBL210423 0.80 PIM1 (0.54) PIM1PIM3PIM2HPGDPTPN1
SCHEMBL1065454 0.79 F10 (0.49) ALDH1A1MAPT
SCHEMBL1061630 0.78 F10 (0.48) ALDH1A1MAPT
SCHEMBL1753893 0.77 MEN1 (0.50) ALDH1A1MAPT
SCHEMBL2829176 0.76 POLB (0.56) HPGDALDH1A1
SCHEMBL13949631 0.75 HDAC1 (0.47)
SCHEMBL13949633 0.75 F10 (0.45) ALDH1A1MAPT
SCHEMBL13949629 0.75 MEN1 (0.54) ALDH1A1MAPT

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2009/4885PIM3 2168/4885PIM2 2680/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2462/4885PIM3 2695/4885PIM2 3102/4885

“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.