SCHEMBL933302

SCHEMBL933302

CCC(=O)N(Cc1ccc(-c2cccnc2)cc1)c1cc(F)cc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.46
PTGDR2 Q9Y5Y4 9/20 0.44
PDK1 Q15118 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2C8 P10632 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
LTB4R2 Q9NPC1 3/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL934374 0.91 PSMB5 (0.47) PSMB5PTGDR2PDK1CYP2C8CYP2C19
SCHEMBL935045 0.89 PTGDR2 (0.48) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934660 0.89 LTB4R2 (0.48) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934632 0.83 PTGDR2 (0.47) PTGDR2PDK1CYP2C8CYP2C19CYP2C9
SCHEMBL933501 0.83 PTGDR2 (0.44) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934274 0.81 PTGDR2 (0.57) PTGDR2PDK1CYP2C8CYP2C19CYP2C9
SCHEMBL934744 0.81 PTGDR2 (0.44) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL2681123 0.81 PTGDR2 (0.51) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL933632 0.80 LTB4R2 (0.49) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL933912 0.80 STAT3 (0.45) 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 PSMB5 379/4885PTGDR2 548/4885PDK1 1795/4885

“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.