SCHEMBL952301

SCHEMBL952301

CS(=O)(=O)c1ccc(CN(C(=O)c2cccnc2)c2cc(F)cc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.75
CYP2C8 P10632 5/20 0.53
CYP2C19 P33261 5/20 0.53
CYP2C9 P11712 4/20 0.53
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 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
SCHEMBL954186 0.91 PTGDR2 (0.73) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL952497 0.90 PTGDR2 (0.74) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL950707 0.83 PTGDR2 (0.73) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL953711 0.83 PTGDR2 (0.71) PTGDR2CYP2C8CYP2C19CYP2C9
SCHEMBL949540 0.82 PTGDR2 (0.71) PTGDR2CYP2C8CYP2C19CYP2C9
SCHEMBL951891 0.80 PTGDR2 (0.72) PTGDR2CYP2C8CYP2C19CYP2C9
SCHEMBL952389 0.80 PTGDR2 (0.53) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL934094 0.79 PTGDR2 (0.67) PTGDR2CYP2C8CYP2C19CYP2C9GAA
SCHEMBL950471 0.79 PTGDR2 (0.73) PTGDR2CYP2C8CYP2C19CYP2C9
SCHEMBL1043963 0.78 PTGDR2 (0.73) PTGDR2CYP2C8CYP2C19CYP2C9

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 6 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
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US 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
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.