SCHEMBL952690

SCHEMBL952690

Cc1cc(C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(C#N)c2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.45
CYP2C8 P10632 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
KMT2A Q03164 3/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.36
MAPK8 P45983 2/20 0.35
NSD2 O96028 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
NPC1 O15118 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL934007 0.81 PTGDR2 (0.65) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL935120 0.81 PTGDR2 (0.62) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL934797 0.80 PTGDR2 (0.60) PTGDR2CYP2C8CYP2C19CYP2C9MAPK8
SCHEMBL952389 0.79 PTGDR2 (0.53) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL934625 0.79 PTGDR2 (0.60) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL933439 0.78 PTGDR2 (0.62) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL934094 0.78 PTGDR2 (0.67) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL934773 0.77 PTGDR2 (0.64) PTGDR2CYP2C8CYP2C19CYP2C9KMT2A
SCHEMBL934466 0.77 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C19CYP2C9MAPK8
SCHEMBL935294 0.76 PTGDR2 (0.63) PTGDR2CYP2C8CYP2C19CYP2C9STAT3

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.