SCHEMBL493564

SCHEMBL493564

O=C(O)COCCNCS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 1/20 0.36
P2RY2 P41231 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP4 P15090 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TBXA2R P21731 1/20 0.33
ACLY P53396 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5130040 0.91 MEN1 (0.39) TDP1TSHRLMNAMEN1KMT2A
SCHEMBL4475594 0.89 KDM4E (0.40) TDP1TSHRMEN1KMT2AACLY
SCHEMBL4484350 0.87 TDP1 (0.36) TDP1TSHRLMNAKDM4E
SCHEMBL493617 0.86 KMT2A (0.42) P2RY2LMNAKMT2ATBXA2R
SCHEMBL493087 0.83 TDP1 (0.43) TDP1TSHRP2RY2LMNAL3MBTL1
SCHEMBL493229 0.80 ALDH1A1 (0.42) P2RY2KMT2ATBXA2RPTGDR2KDM4E
SCHEMBL4461535 0.78 FABP4 (0.43) LMNAL3MBTL1FABP4MEN1KMT2A
SCHEMBL5114277 0.77 ALDH1A1 (0.40) KMT2APTGDR2KDM4E
SCHEMBL5125393 0.75 KMT2A (0.39) TDP1TSHRP2RY2KMT2A
SCHEMBL571406 0.75 BDKRB1 (0.37) TDP1TSHRKDM4E

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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD TDP1 3893/4885TSHR 4051/4885P2RY2 418/4885

“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.