Sugi Predict

Sugi Predict / Compounds / SCHEMBL493617

SCHEMBL493617

SCHEMBL493617

O=C(O)COCCNCS(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ DAGLA Q9Y4D2 1/20 0.34
▸ P2RY2 P41231 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 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
SCHEMBL493564 0.86 TDP1 (0.36) KMT2AP2RY2LMNATBXA2R
SCHEMBL5125393 0.86 KMT2A (0.39) KMT2AALDH1A1P2RY2PDCD1LG2CD274
SCHEMBL5114277 0.85 ALDH1A1 (0.40) KMT2APOLBALDH1A1SLC1A3SLC1A2
SCHEMBL4484350 0.82 TDP1 (0.36) GAAPOLBALDH1A1LMNAPDCD1LG2
SCHEMBL5128116 0.80 ALDH1A1 (0.49) KMT2AALDH1A1TBXA2R
SCHEMBL493229 0.80 ALDH1A1 (0.42) KMT2AGAAALDH1A1P2RY2TBXA2R
SCHEMBL5130040 0.79 MEN1 (0.39) KMT2ALMNA
SCHEMBL493087 0.78 TDP1 (0.43) GAAALDH1A1P2RY2LMNA
SCHEMBL13649837 0.78 KMT2A (0.48) KMT2AGAAALDH1A1LMNAPKM
SCHEMBL5124231 0.78 FABP4 (0.46) KMT2AGAAPOLBALDH1A1TBXA2R

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 6 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-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-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 — — US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 — — 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 (3 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 KMT2A 3755/4885GAA 215/4885POLB 1783/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 KMT2A 2892/4885GAA 3363/4885POLB 3990/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD KMT2A 1749/4885GAA 445/4885POLB 2120/4885

“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.