SCHEMBL934522

SCHEMBL934522

CCOCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.51
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SERPINE1 P05121 4/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.36
BDKRB1 P46663 1/20 0.36
RAPGEF3 O95398 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LSS P48449 1/20 0.35
BCL2A1 Q16548 1/20 0.34

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
SCHEMBL934123 0.91 PTGDR2 (0.51) PTGDR2CYP2C8CYP2C9CYP2C19SERPINE1
SCHEMBL933910 0.89 PTGDR2 (0.56) PTGDR2CYP2C8CYP2C9CYP2C19SERPINE1
SCHEMBL934651 0.88 PTGDR2 (0.64) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL935026 0.86 PTGDR2 (0.51) PTGDR2CYP2C8CYP2C9CYP2C19SERPINE1
SCHEMBL933423 0.80 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C9CYP2C19SERPINE1
SCHEMBL953144 0.78 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C9CYP2C19SERPINE1
SCHEMBL935194 0.77 PTGDR2 (0.63) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL934508 0.77 PTGDR2 (0.50) PTGDR2CYP2C8CYP2C9CYP2C19SERPINE1
SCHEMBL934586 0.75 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL933785 0.70 PTGDR2 (0.46) PTGDR2CYP2C8CYP2C9CYP2C19NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885CYP2C8 108/4885CYP2C9 34/4885

“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.