SCHEMBL2733862

SCHEMBL2733862

COC(=O)c1ccc(OCCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.81
PIM2 Q9P1W9 3/20 0.67
HPGD P15428 10/20 0.65
CISD1 Q9NZ45 2/20 0.65
TDP1 Q9NUW8 1/20 0.64
GPR35 Q9HC97 1/20 0.62
AKR1B1 P15121 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 1/20 0.58

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
SCHEMBL211435 0.90 PIM1 (1.00) PIM1PIM2HPGDTDP1AKR1B1
SCHEMBL211434 0.90 PIM1 (1.00) PIM1PIM2HPGDTDP1AKR1B1
SCHEMBL5672818 0.90 PIM1 (1.00) PIM1PIM2HPGDTDP1AKR1B1
SCHEMBL212733 0.86 GPR35 (0.70) PIM1PIM2HPGDCISD1TDP1
SCHEMBL212735 0.86 GPR35 (0.70) PIM1PIM2HPGDCISD1TDP1
SCHEMBL212734 0.86 GPR35 (0.70) PIM1PIM2HPGDCISD1TDP1
SCHEMBL2759606 0.82 PIM1 (0.54) PIM1PIM2HPGDCISD1TDP1
SCHEMBL7078703 0.81 GPR35 (0.74) PIM1PIM2HPGDCISD1GPR35
SCHEMBL7078705 0.81 GPR35 (0.74) PIM1PIM2HPGDCISD1GPR35
SCHEMBL9326976 0.80 HPGD (0.80) PIM1PIM2HPGDCISD1GPR35

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 6 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-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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2009/4885PIM2 2680/4885HPGD 1120/4885

“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.