SCHEMBL212734

SCHEMBL212734

O=C1NC(=O)/C(=C/c2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)S1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.70
PIM1 P11309 2/20 0.67
PIM2 Q9P1W9 2/20 0.67
HPGD P15428 10/20 0.65
PTGS2 P35354 1/20 0.65
CISD1 Q9NZ45 2/20 0.62
MYC P01106 1/20 0.61
IL1RN P18510 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
PTPN1 P18031 1/20 0.61
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL212733 1.00 GPR35 (0.70) GPR35PIM1PIM2HPGDPTGS2
SCHEMBL212735 1.00 GPR35 (0.70) GPR35PIM1PIM2HPGDPTGS2
SCHEMBL212025 0.87 MYC (0.77) GPR35PIM1PIM2HPGDPTGS2
SCHEMBL5672232 0.87 MYC (0.77) GPR35PIM1PIM2HPGDPTGS2
SCHEMBL212026 0.87 MYC (0.77) GPR35PIM1PIM2HPGDPTGS2
SCHEMBL7696597 0.87 CISD1 (0.68) GPR35PIM1PIM2HPGDPTGS2
SCHEMBL7696596 0.87 CISD1 (0.68) GPR35PIM1PIM2HPGDPTGS2
SCHEMBL9326976 0.86 HPGD (0.80) GPR35PIM1PIM2HPGDCISD1
SCHEMBL9326177 0.86 HPGD (0.80) GPR35PIM1PIM2HPGDCISD1
SCHEMBL2733862 0.86 PIM1 (0.81) GPR35PIM1PIM2HPGDCISD1

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 GPR35 4491/4885PIM1 2009/4885PIM2 2680/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 GPR35 4429/4885PIM1 2462/4885PIM2 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.