SCHEMBL2404746

SCHEMBL2404746

Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.43
▸ PDK2 Q15119 4/20 0.43
▸ PDK3 Q15120 4/20 0.43
▸ PDK4 Q16654 4/20 0.43
▸ CISD2 Q8N5K1 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ P2RX1 P51575 1/20 0.36
▸ TMPRSS4 Q9NRS4 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
SCHEMBL4156818 0.81 PDK1 (0.51) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL2403082 0.81 MEN1 (0.57) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2406142 0.78 HTT (0.44) CISD2CYP1A2CYP2C9CYP2C19
SCHEMBL15049327 0.77 PDK1 (0.47) PDK1PDK2PDK3PDK4HPGD
SCHEMBL27969584 0.76 HPGD (0.44) CISD2HPGDMEN1GFERKMT2A
SCHEMBL17666342 0.76 MEN1 (0.61) PDK1PDK2PDK3PDK4HPGD
SCHEMBL7144510 0.75 LMNA (0.46) PDK1PDK2PDK3PDK4HPGD
SCHEMBL6351061 0.75 CSNK2A1 (0.41) CISD2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL16183923 0.75 CYP1A2 (0.54) HPGDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL7273570 0.75 CISD2 (0.40) CISD2HPGDMEN1GFERKMT2A

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 7 patents. 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 disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 — — US disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 — — EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 — — US 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
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 (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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD PDK1 221/4885PDK2 318/4885PDK3 578/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD PDK1 221/4885PDK2 318/4885PDK3 578/4885

“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.

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