SCHEMBL493089

SCHEMBL493089

CN(CCOCC(=O)O)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BDKRB1 P46663 6/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.44
TRPV4 Q9HBA0 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
GSTO1 P78417 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 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
SCHEMBL5117768 0.87 BDKRB1 (0.57) ALDH1A1L3MBTL1BDKRB1PTGDR2GSTO1
SCHEMBL5114284 0.85 HTT (0.48) ALDH1A1L3MBTL1BDKRB1GSTO1
SCHEMBL493566 0.83 BDKRB1 (0.42) ALDH1A1L3MBTL1BDKRB1PTGDR2TDP1
SCHEMBL14033580 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1BDKRB1PTGDR2TDP1
SCHEMBL493230 0.82 PTGDR2 (0.49) ALDH1A1PTGDR2TDP1TSHRPOLB
SCHEMBL4464906 0.81 BDKRB1 (0.56) ALDH1A1L3MBTL1BDKRB1PTGDR2TDP1
SCHEMBL14034060 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1BDKRB1TRPV4GSTO1
SCHEMBL5125397 0.80 BDKRB1 (0.55) ALDH1A1L3MBTL1BDKRB1PTGDR2GSTO1
SCHEMBL14034027 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1BDKRB1PTGDR2TDP1
SCHEMBL3442606 0.79 BDKRB1 (0.44) ALDH1A1L3MBTL1BDKRB1PTGDR2TRPV4

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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 (2 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 ALDH1A1 1349/4885L3MBTL1 4753/4885BDKRB1 1622/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 863/4885L3MBTL1 4883/4885BDKRB1 3589/4885

“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.