SCHEMBL933936

SCHEMBL933936

CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.59
CYP2C8 P10632 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP2C9 P11712 3/20 0.59
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
RXRA P19793 1/20 0.39
RXRG P48443 1/20 0.39
PDK1 Q15118 1/20 0.38
NSD2 O96028 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.38

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
SCHEMBL934709 0.89 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934274 0.87 PTGDR2 (0.57) PTGDR2CYP2C8CYP2C19CYP2C9PDK2
SCHEMBL2681116 0.86 PTGDR2 (0.46) PTGDR2CYP2C8CYP2C19CYP2C9PDK2
SCHEMBL933279 0.86 PTGDR2 (0.45) PTGDR2CYP2C8CYP2C19CYP2C9HDAC1
SCHEMBL933423 0.86 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934095 0.85 PTGDR2 (0.58) PTGDR2CYP2C8CYP2C19CYP2C9HDAC1
SCHEMBL935225 0.85 PTGDR2 (0.62) PTGDR2CYP2C8CYP2C19CYP2C9
SCHEMBL935045 0.85 PTGDR2 (0.48) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934660 0.84 LTB4R2 (0.48) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934298 0.84 PTGDR2 (0.59) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2

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 108/4885CYP2C19 18/4885

“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.