SCHEMBL517774

SCHEMBL517774

COc1ccc(-c2ccc(N(Cl)C(=O)C3=C(C(=O)O)CCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.53
SLC6A3 Q01959 1/20 0.47
NR4A2 P43354 2/20 0.40
JMJD7 P0C870 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MCHR1 Q99705 2/20 0.38

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
SCHEMBL3924320 0.85 DHODH (0.54) DHODHSLC6A3NR4A2JMJD7NR4A1
SCHEMBL517998 0.85 DHODH (0.54) DHODHSLC6A3KMT2ANPC1POLB
SCHEMBL3915696 0.81 PTGS2 (0.43) DHODH
SCHEMBL3923666 0.80 DHODH (0.39) DHODHKMT2ANPC1
SCHEMBL3918039 0.75 DHODH (0.41) DHODHSLC6A3NR4A2JMJD7NR4A1
SCHEMBL6814731 0.74 DHODH (0.49) DHODHSLC6A3NR4A2JMJD7NR4A1
SCHEMBL3924512 0.73 DHODH (0.72) DHODHSLC6A3NR4A2JMJD7NR4A1
SCHEMBL3915666 0.73 DHODH (0.46) DHODHSLC6A3NR4A2JMJD7NR4A1
SCHEMBL6503513 0.71 SLC6A3 (0.69) DHODHSLC6A3KMT2ACA1CA2
SCHEMBL3914186 0.71 DHODH (0.56) DHODHSLC6A3NR4A2JMJD7NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015154820-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS PANOPTES PHARMA GMBH (AT) 2015-10-15 WO claimed
US-8354433-B2 Anti-inflammatory agents as virostatic compounds 4SC AG (DE) 2013-01-15 US claimed
EP-2427186-B1 DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS PANOPTES PHARMA GES M B H (AT) 2022-01-12 EP disclosed
US-9795590-B2 Anti-inflammatory agents as virostatic compounds PANOPTES PHARMA GMBH (AT) 2017-10-24 US disclosed
US-20170027905-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS Panoptes Hparma GmbH (AT) 2017-02-02 US disclosed
WO-2015154820-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS PANOPTES PHARMA GMBH (AT) 2015-10-15 WO disclosed
US-8354433-B2 Anti-inflammatory agents as virostatic compounds 4SC AG (DE) 2013-01-15 US disclosed
US-20120028985-A1 COMBINATIONAL THERAPY FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2012-02-02 US disclosed
EP-2362771-A1 COMBINATIONAL THERAPY COMPRISING DHODH INHIBITOR AND METHOTREXATE FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2011-09-07 EP disclosed
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2010-11-04 US disclosed
WO-2010052027-A1 COMBINATIONAL THERAPY COMPRISING DHODH INHIBITOR AND METHOTREXATE FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2010-05-14 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 (3 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-20120028985-A1 COMBINATIONAL THERAPY FOR TREATING AUTOIMMUNE DISEASE HLA-DRB1, IL2, SSB DHODH 2305/4885SLC6A3 2759/4885NR4A2 2709/4885
US-20170027905-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS TNF, RPL35, NFKBIA DHODH 2832/4885SLC6A3 4722/4885NR4A2 3102/4885
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS TNF, MIF, IL1B DHODH 2796/4885SLC6A3 4778/4885NR4A2 2483/4885

“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.