SCHEMBL468570

SCHEMBL468570

COc1cccc(-c2ccc(Nc3ccccc3C(=O)O)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.64
PDE4B Q07343 1/20 0.58
AKR1C3 P42330 4/20 0.55
AKR1C2 P52895 4/20 0.55
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
FABP5 Q01469 1/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.51
TAS2R14 Q9NYV8 1/20 0.50
HCAR2 Q8TDS4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL468546 0.89 DHODH (0.80) DHODHPDE4BCTSVCTSLMEN1
SCHEMBL2826385 0.86 DHODH (0.66) DHODH
SCHEMBL1335741 0.84 GAA (0.61) DHODHMEN1KMT2AKDM4EGAA
SCHEMBL11540106 0.82 AKR1C3 (0.79) AKR1C3AKR1C2FABP4CTSVCTSL
SCHEMBL468580 0.78 DHODH (0.82) DHODH
SCHEMBL468466 0.78 DHODH (1.00) DHODH
SCHEMBL2826387 0.78 DHODH (0.56) DHODHPDE4B
SCHEMBL13951324 0.77 DHODH (0.80) DHODH
SCHEMBL468533 0.77 DHODH (0.80) DHODHMEN1KMT2AKDM4E
SCHEMBL468552 0.77 DHODH (0.80) DHODHAKR1C2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US claimed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP claimed
EP-2389197-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS Almirall S.A. (ES) 2011-11-30 EP claimed
US-20110280831-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-11-17 US claimed
US-20110253957-A1 Compliant motion distribution system FLEXSYS, INC. 2011-10-20 US claimed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US claimed
WO-2010083975-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-07-29 WO claimed
EP-2210615-A1 Combinations comprising methotrexate and DHODH inhibitors Almirall, S.A. (ES) 2010-07-28 EP claimed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP claimed
EP-2389197-B1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL SA (ES) 2014-06-18 EP disclosed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO disclosed
EP-2210615-A1 Combinations comprising methotrexate and DHODH inhibitors Almirall, S.A. (ES) 2010-07-28 EP disclosed
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 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-20110280831-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, CBR3, HRH4 DHODH 1/4885PDE4B 3685/4885AKR1C3 23/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885PDE4B 1232/4885AKR1C3 379/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885PDE4B 1232/4885AKR1C3 379/4885

“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.