SCHEMBL934518

SCHEMBL934518

CCC(=O)N(Cc1ccc(OC(F)(F)F)c(Cl)c1)c1cccc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.39
PTGDR2 Q9Y5Y4 6/20 0.39
PDE5A O76074 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDK1 Q15118 1/20 0.39
ROCK2 O75116 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL934517 0.88 PTGDR2 (0.46) MRGPRX4PTGDR2PDE5AROCK2HCRTR1
SCHEMBL934508 0.85 PTGDR2 (0.50) PTGDR2HDAC1HDAC8HDAC6CYP2C8
SCHEMBL934574 0.84 PTGDR2 (0.46) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL933785 0.80 PTGDR2 (0.46) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL934095 0.79 PTGDR2 (0.58) PTGDR2HDAC1HDAC8HDAC6CYP2C8
SCHEMBL934553 0.79 PTGDR2 (0.49) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL934502 0.79 PTGDR2 (0.59) PTGDR2HDAC1HDAC8HDAC6LTB4R2
SCHEMBL933200 0.78 PTGDR2 (0.56) PTGDR2HDAC1HDAC8HDAC6LTB4R2
SCHEMBL950879 0.78 PTGDR2 (0.49) PTGDR2HDAC1HDAC8HDAC6CYP2C8
SCHEMBL935192 0.77 PTGDR2 (0.57) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2

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 MRGPRX4 74/4885PTGDR2 548/4885PDE5A 975/4885

“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.