SCHEMBL934508

SCHEMBL934508

CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H4 Q96RI1 3/20 0.45
LTB4R2 Q9NPC1 5/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SERPINE1 P05121 2/20 0.43
CETP P11597 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL934574 0.91 PTGDR2 (0.46) PTGDR2CYP2C8CYP2C9CYP2C19CETP
SCHEMBL933865 0.87 PTGDR2 (0.58) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL933423 0.86 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C9CYP2C19NR1H4
SCHEMBL934095 0.86 PTGDR2 (0.58) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL934123 0.85 PTGDR2 (0.51) PTGDR2CYP2C8CYP2C9CYP2C19NR1H4
SCHEMBL934518 0.85 MRGPRX4 (0.39) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL933200 0.84 PTGDR2 (0.56) PTGDR2LTB4R2HDAC1HDAC8HDAC6
SCHEMBL934148 0.83 PTGDR2 (0.54) PTGDR2LTB4R2
SCHEMBL2681451 0.82 LTB4R2 (0.44) PTGDR2LTB4R2HDAC1HDAC8HDAC6
SCHEMBL934678 0.81 LTB4R2 (0.54) 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 548/4885CYP2C8 108/4885CYP2C9 34/4885

“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.