SCHEMBL493500

SCHEMBL493500

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 6/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.43
TBXA2R P21731 4/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5128119 0.87 ALDH1A1 (0.55) LMNAALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL493230 0.86 PTGDR2 (0.49) LMNAALDH1A1HTTKMT2APTGDR2
SCHEMBL5128992 0.86 GBA1 (0.44) LMNAALDH1A1HTTKMT2APTGDR2
SCHEMBL493487 0.85 KEAP1 (0.52) LMNAALDH1A1HTTKDM4EKEAP1
SCHEMBL493253 0.83 BDKRB1 (0.56) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL5121526 0.82 TBXA2R (0.39) LMNAALDH1A1HTTKMT2APTGDR2
SCHEMBL5132111 0.81 ALDH1A1 (0.45) ALDH1A1KMT2APTGDR2POLBHPGD
SCHEMBL27583587 0.80 KMT2A (0.49) LMNAALDH1A1HTTKMT2APTGDR2
SCHEMBL493489 0.79 PDE4D (0.50) LMNAALDH1A1HTTKMT2APTGDR2
SCHEMBL5085798 0.78 HDAC3 (0.40) LMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 LMNA 1324/4885ALDH1A1 2737/4885HTT 1828/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD LMNA 2485/4885ALDH1A1 1349/4885HTT 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.