SCHEMBL1741097

SCHEMBL1741097

CCc1cc(C#N)cc(C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 6/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTR1A P08908 3/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
AKR1C3 P42330 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
PGR P06401 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
DDR1 Q08345 1/20 0.30

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
SCHEMBL1338372 0.88 PDE4A (0.37) EPAS1PDE4APDE4CPDE4DMRGPRX4
SCHEMBL30916458 0.81 LMNA (0.37) EPAS1PDE4APDE4CPDE4DMRGPRX4
SCHEMBL3426308 0.77 VCAM1 (0.43) EPAS1PDE4APDE4CPDE4D
SCHEMBL1175718 0.76 SRC (0.39) HTR1AHTR1DHTR1B
SCHEMBL3207214 0.76 EPHX2 (0.34) HTR1AHTR1DHTR1BMRGPRX4
SCHEMBL17696655 0.73 HTR1A (0.31) HTR1AHTR1DHTR1B
SCHEMBL16179448 0.72 MRGPRX4 (0.42) EPAS1PDE4APDE4CPDE4DMRGPRX4
SCHEMBL7569500 0.72 GABRA1 (0.37) HTR1D
SCHEMBL5561363 0.70 FFAR4 (0.37) EPAS1PGR
SCHEMBL4174925 0.70 EPAS1 (0.39) EPAS1PDE4APDE4CPDE4D

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-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
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 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 (1 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 EPAS1 1053/4885PDE4A 177/4885PDE4C 618/4885

“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.