SCHEMBL517841

SCHEMBL517841

COc1cccc(-c2cc(F)c(N(F)C(=O)c3occc3C(=O)O)c(F)c2F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.44
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
GPR35 Q9HC97 3/20 0.40
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL517921 0.78 DHODH (0.53) DHODHAKR1C3AKR1C2
SCHEMBL517020 0.71 DHODH (0.58) DHODH
SCHEMBL517840 0.70 DHODH (0.56) DHODHGPR35
SCHEMBL18377850 0.69 AKR1C3 (0.55) DHODHAKR1C3AKR1C2GPR35PRKAB2
SCHEMBL299934 0.69 DHODH (0.55) DHODH
SCHEMBL729195 0.67 DHODH (0.78) DHODHALDH1A1
SCHEMBL2730244 0.67 DHODH (0.57) DHODHAKR1C3AKR1C2PRKAB2PRKAG1
SCHEMBL6632075 0.66 PARP1 (0.50) ALDH1A1HPGD
SCHEMBL4399442 0.65 DHODH (0.43) DHODH
SCHEMBL3731784 0.65 KDM1A (0.53) AKR1C3AKR1C2ALDH1A1

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 9 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
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2010-11-04 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 (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 2305/4885AKR1C3 928/4885AKR1C2 1713/4885
US-20170027905-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS TNF, RPL35, NFKBIA DHODH 2832/4885AKR1C3 346/4885AKR1C2 741/4885
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS TNF, MIF, IL1B DHODH 2796/4885AKR1C3 1055/4885AKR1C2 1807/4885

“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.