SCHEMBL1940423

SCHEMBL1940423

N#Cc1cnc(OS(=O)(=O)C(F)(F)F)c(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
NR3C1 P04150 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
SCN9A Q15858 5/20 0.40
SLC22A12 Q96S37 2/20 0.40
METAP2 P50579 1/20 0.39
PGR P06401 1/20 0.38
RORA P35398 2/20 0.37
RORC P51449 2/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL17316099 0.73 HPGDS (0.60) PDE4APDE4CPDE4DSCN9ASLC22A12
SCHEMBL1423520 0.72 SLC22A12 (0.45) PDE4APDE4CPDE4DPTGDR2SCN9A
SCHEMBL7213440 0.70 AKT1 (0.56) PTGDR2METAP2AKT1
SCHEMBL20577702 0.68 NR3C1 (0.51) NR3C1PTGDR2PGRRORC
SCHEMBL29615607 0.68 NR3C1 (0.51) NR3C1PTGDR2PGRRORC
SCHEMBL1940329 0.68 PTGDR2 (0.49) PTGDR2METAP2BACE1ALDH1A1CYP1A2
SCHEMBL12430366 0.68 PDE4A (0.48) PDE4APDE4CPDE4DPTGDR2SLC22A12
SCHEMBL30207053 0.68 PTGS2 (0.44) BACE1
SCHEMBL25871475 0.68 PTGS2 (0.44) BACE1
SCHEMBL5904463 0.68 SLC22A12 (0.46) PTGDR2SLC22A12METAP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP disclosed
EP-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP disclosed
EP-1631548-B1 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-10-28 EP disclosed
EP-1631548-B1 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-10-28 EP disclosed
US-7579355-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-25 US disclosed
US-7579355-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-25 US disclosed
US-7414055-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-08-19 US disclosed
US-7414055-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-08-19 US disclosed
EP-1631548-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US disclosed
US-20060270673-A1 Inhibitors of akt activity MERCK & CO., INC. (US) 2006-11-30 US disclosed
EP-1631548-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-03-08 EP disclosed
EP-1622616-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-02-08 EP disclosed
WO-2004096135-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 WO disclosed
WO-2004096131-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 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-20060270673-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 PDE4A 1825/4885PDE4C 1382/4885PDE4D 2108/4885
US-20070043001-A1 Inhibitors of akt activity MTMR1, PIK3CA, PLK1 PDE4A 1888/4885PDE4C 1632/4885PDE4D 1934/4885

“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.