SCHEMBL934745

SCHEMBL934745

CCC(=O)N(Cc1cccc(O)c1)c1cc(F)cc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.59
CYP2C8 P10632 5/20 0.59
CYP2C19 P33261 5/20 0.59
CYP2C9 P11712 4/20 0.59
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
CYP19A1 P11511 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
PDK1 Q15118 3/20 0.39
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL933905 0.88 PTGDR2 (0.46) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934274 0.87 PTGDR2 (0.57) PTGDR2CYP2C8CYP2C19CYP2C9CYP19A1
SCHEMBL934229 0.86 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C19CYP2C9
SCHEMBL934765 0.84 PTGDR2 (0.44) PTGDR2CYP2C8CYP2C19CYP2C9
SCHEMBL934629 0.84 PTGDR2 (0.62) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934632 0.83 PTGDR2 (0.47) PTGDR2CYP2C8CYP2C19CYP2C9PDK1
SCHEMBL934660 0.82 LTB4R2 (0.48) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL934374 0.82 PSMB5 (0.47) PTGDR2CYP2C8CYP2C19CYP2C9PDK1
SCHEMBL2681351 0.82 PTGDR2 (0.44) PTGDR2CYP2C8CYP2C19CYP2C9LTB4R2
SCHEMBL2681116 0.82 PTGDR2 (0.46) 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.