SCHEMBL2680465

SCHEMBL2680465

CCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(-c2nnn[nH]2)ccc1F

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.73
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
ALPL P05186 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2680885 0.95 PTGDR2 (0.74) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2680544 0.93 PTGDR2 (0.72) PTGDR2CYP2C8CYP2C9CYP2C19NPC1
SCHEMBL2680643 0.89 PTGDR2 (0.73) PTGDR2CYP2C8CYP2C9CYP2C19HTT
SCHEMBL2680756 0.84 PTGDR2 (0.72) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2680373 0.84 PTGDR2 (0.75) PTGDR2CYP2C8CYP2C9CYP2C19HPGD
SCHEMBL2681174 0.80 PTGDR2 (0.74) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2680975 0.79 PTGDR2 (0.73) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL2680387 0.78 PTGDR2 (0.73) PTGDR2
SCHEMBL950694 0.77 PTGDR2 (0.63) PTGDR2CYP2C8CYP2C9CYP2C19HPGD
SCHEMBL2680967 0.77 PTGDR2 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.