SCHEMBL955571

SCHEMBL955571

CCC(=O)N(Cc1ccc(OC)cc1)c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.69
CYP2C8 P10632 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
LTB4R2 Q9NPC1 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL950639 0.91 PTGDR2 (0.70) PTGDR2CYP2C8CYP2C9CYP2C19KDM4E
SCHEMBL951190 0.91 PTGDR2 (0.71) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL951429 0.89 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL950666 0.89 PTGDR2 (0.67) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL958619 0.89 PTGDR2 (0.58) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL952224 0.88 PTGDR2 (0.68) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL954237 0.87 PTGDR2 (0.56) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL951338 0.86 PTGDR2 (0.70) PTGDR2CYP2C8CYP2C9CYP2C19ALDH1A1
SCHEMBL12944575 0.85 PTGDR2 (0.55) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL953963 0.85 PTGDR2 (0.70) PTGDR2CYP2C8CYP2C9CYP2C19

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 108/4885CYP2C9 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.