SCHEMBL935012

SCHEMBL935012

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.58
KMT2A Q03164 2/20 0.48
CYP2C8 P10632 1/20 0.47
CYP2C19 P33261 1/20 0.47
STAT3 P40763 3/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRS Q13332 1/20 0.46
CCR5 P51681 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
NPC1 O15118 2/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
P4HB P07237 2/20 0.41
MAPK8 P45983 1/20 0.41
MEN1 O00255 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL934148 0.86 PTGDR2 (0.54) PTGDR2KMT2ALTB4R2NPC1JAK2
SCHEMBL2681451 0.85 LTB4R2 (0.44) PTGDR2KMT2ASTAT3PTPN2PTPN1
SCHEMBL933200 0.85 PTGDR2 (0.56) PTGDR2KMT2ALTB4R2NPC1MEN1
SCHEMBL934797 0.84 PTGDR2 (0.60) PTGDR2CYP2C8CYP2C19STAT3MAPK8
SCHEMBL934678 0.84 LTB4R2 (0.54) PTGDR2KMT2ASTAT3PTPN2PTPN1
SCHEMBL933865 0.83 PTGDR2 (0.58) PTGDR2KMT2ACYP2C8CYP2C19LTB4R2
SCHEMBL934647 0.82 PTGDR2 (0.46) PTGDR2KMT2ALTB4R2NPC1JAK2
SCHEMBL934095 0.82 PTGDR2 (0.58) PTGDR2CYP2C8CYP2C19LTB4R2HDAC1
SCHEMBL934199 0.80 PTGDR2 (0.56) PTGDR2KMT2ALTB4R2NPC1JAK2
SCHEMBL934508 0.79 PTGDR2 (0.50) PTGDR2CYP2C8CYP2C19LTB4R2HDAC1

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 548/4885KMT2A 3138/4885CYP2C8 108/4885

“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.