SCHEMBL493087

SCHEMBL493087

O=C(O)COCCNCS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.42
BDKRB1 P46663 3/20 0.40
ITGA1 P56199 2/20 0.38
P2RY2 P41231 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
KDM4E B2RXH2 2/20 0.36
TRPV4 Q9HBA0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5117767 0.86 TDP1 (0.42) TDP1TSHRBDKRB1KDM4EALDH1A1
SCHEMBL5114277 0.85 ALDH1A1 (0.40) PTGDR2KDM4EALDH1A1
SCHEMBL493564 0.83 TDP1 (0.36) TDP1TSHRP2RY2PTGDR2KDM4E
SCHEMBL493229 0.82 ALDH1A1 (0.42) P2RY2PTGDR2KDM4EALDH1A1GAA
SCHEMBL4464905 0.81 WDR5 (0.39) TDP1BDKRB1P2RY2KDM4EALDH1A1
SCHEMBL5125393 0.80 KMT2A (0.39) TDP1TSHRBDKRB1P2RY2ALDH1A1
SCHEMBL5130040 0.78 MEN1 (0.39) TDP1TSHRPTGDR2KDM4ELMNA
SCHEMBL493617 0.78 KMT2A (0.42) P2RY2ALDH1A1LMNAGAA
SCHEMBL5121522 0.78 TBXA2R (0.41) PTGDR2L3MBTL1
SCHEMBL4475594 0.76 KDM4E (0.40) TDP1TSHRPTGDR2KDM4EALDH1A1

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 TDP1 3893/4885TSHR 4051/4885BDKRB1 1622/4885

“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.