SCHEMBL6804322

SCHEMBL6804322

N=C(N)NS(=O)(=O)c1sc(Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.41
CCKBR P32239 1/20 0.41
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.33
FLT1 P17948 3/20 0.33
FLT4 P35916 3/20 0.33
KDR P35968 3/20 0.33
FBP1 P09467 2/20 0.33
TDP1 Q9NUW8 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL6847201 0.87 CCR4 (0.43) CCR4CCKBRKMT2AF2FLT1
SCHEMBL7570277 0.84 OPRD1 (0.38)
SCHEMBL7562585 0.82 CCR4 (0.48) CCR4CCKBRKMT2AFLT1FLT4
SCHEMBL7567612 0.81 CCR4 (0.42) CCR4CCKBRKMT2AFLT1FLT4
SCHEMBL6807241 0.79
SCHEMBL6807252 0.79 CCR4 (0.40) CCR4CCKBRKMT2AFBP1
SCHEMBL6807253 0.77 CCR4 (0.40) CCR4CCKBRKMT2A
SCHEMBL6802953 0.76 CCR4 (0.38) CCR4CCKBR
SCHEMBL1548108 0.75 CCR4 (0.41) CCR4CCKBRKMT2ATDP1
SCHEMBL6802957 0.74 CCR4 (0.38) CCR4CCKBR

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-20040010142-A1 Novel process NOVO NORDISK A/S (DK) 2004-01-15 US disclosed
US-20020119969-A1 Novel process NOVO NORDISK A/S (DK) 2002-08-29 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-20040010142-A1 Novel process UGT1A1, CYP4X1, CYP4B1 CCR4 2292/4885CCKBR 977/4885KMT2A 4646/4885
US-20020119969-A1 Novel process CYP3A5, CYP4F2, CYP4F12 CCR4 3947/4885CCKBR 1602/4885KMT2A 4599/4885

“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.