SCHEMBL1338372

SCHEMBL1338372

Cc1cc(C#N)cc(C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
EPAS1 Q99814 10/20 0.36
AKR1C3 P42330 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
AR P10275 1/20 0.33
GPR35 Q9HC97 1/20 0.33
HSD11B1 P28845 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL1741097 0.88 EPAS1 (0.33) PDE4APDE4CPDE4DEPAS1AKR1C3
SCHEMBL30916458 0.88 LMNA (0.37) PDE4APDE4CPDE4DEPAS1MRGPRX4
SCHEMBL3426308 0.85 VCAM1 (0.43) PDE4APDE4CPDE4DEPAS1
SCHEMBL5561363 0.80 FFAR4 (0.37) EPAS1ARHSD11B1
SCHEMBL16179448 0.80 MRGPRX4 (0.42) PDE4APDE4CPDE4DEPAS1AKR1C3
Iodide SCHEMBL20377402 0.79 FFAR4 (0.36) EPAS1ARHSD11B1
SCHEMBL12129703 0.79 ALPL (0.38) EPAS1TRPV4GPR35HSD11B1
SCHEMBL4814757 0.77 MEN1 (0.36) EPAS1HSD11B1
SCHEMBL3841263 0.77 HSD11B1 (0.31) HSD11B1
SCHEMBL4174925 0.77 EPAS1 (0.39) PDE4APDE4CPDE4DEPAS1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 WO disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 WO disclosed
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 EP disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
EP-2011788-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2009-01-07 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 PDE4A 177/4885PDE4C 618/4885PDE4D 175/4885
US-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 PDE4A 172/4885PDE4C 480/4885PDE4D 261/4885
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 PDE4A 218/4885PDE4C 584/4885PDE4D 200/4885

“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.