SCHEMBL955018

SCHEMBL955018

CCC(=O)N(Cc1ccc2c(c1)OC(F)(F)O2)c1cc(Cl)cc(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.35
HDAC6 Q9UBN7 2/20 0.33
CYP19A1 P11511 1/20 0.33
F2R P25116 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 1/20 0.32
RORC P51449 1/20 0.32
FAAH O00519 2/20 0.31
CTNNB1 P35222 2/20 0.31
WNT3A P56704 2/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL2680724 0.77 PTGDR2 (0.42) PTGDR2
SCHEMBL934123 0.76 PTGDR2 (0.51) PTGDR2LTB4R2
SCHEMBL1078031 0.69 PTGDR2 (0.60) PTGDR2
SCHEMBL950511 0.69 PTGDR2 (0.60) PTGDR2F2R
SCHEMBL950409 0.69 KIT (0.39) HDAC6TDP1FAAHSLC6A4
SCHEMBL934274 0.69 PTGDR2 (0.57) PTGDR2CYP19A1LTB4R2
SCHEMBL2681063 0.69 LIPG (0.43) PTGDR2
SCHEMBL933910 0.69 PTGDR2 (0.56) PTGDR2LTB4R2
SCHEMBL949661 0.69 PTGDR2 (0.41) PTGDR2
SCHEMBL2681116 0.68 PTGDR2 (0.46) PTGDR2LTB4R2

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 548/4885HDAC6 106/4885CYP19A1 239/4885

“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.