SCHEMBL493230

SCHEMBL493230

CN(CCOCC(=O)O)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TBXAS1 P24557 1/20 0.45
ADRB2 P07550 1/20 0.44
GAA P10253 2/20 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
SCHEMBL5128119 0.87 ALDH1A1 (0.55) LMNAHTTALDH1A1SMN1; SMN2GAA
SCHEMBL493500 0.86 LMNA (0.49) PTGDR2LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL493487 0.85 KEAP1 (0.52) LMNAHTTALDH1A1KEAP1NFE2L2
SCHEMBL493089 0.82 ALDH1A1 (0.52) PTGDR2ALDH1A1POLBHPGDTSHR
SCHEMBL493253 0.81 BDKRB1 (0.56) LMNAHTTALDH1A1SMN1; SMN2GAA
SCHEMBL11602365 0.80 ALOX15 (0.52) LMNAHTTALDH1A1CA12CA1
SCHEMBL493566 0.80 BDKRB1 (0.42) PTGDR2ALDH1A1TDP1
SCHEMBL493618 0.80 BDKRB1 (0.53) PTGDR2LMNAHTTALDH1A1KMT2A
SCHEMBL493489 0.79 PDE4D (0.50) PTGDR2LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL5114284 0.78 HTT (0.48) LMNAHTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD PTGDR2 135/4885LMNA 2485/4885HTT 3541/4885

“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.