SCHEMBL4083462

SCHEMBL4083462

O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2nc(C(Cl)(Cl)Cl)n(-c3ccccc3)n2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
PTGS2 P35354 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
MMP1 P03956 1/20 0.38
GAA P10253 1/20 0.38
MMP12 P39900 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL13901598 0.92 CA1 (0.41) CA1CA2KMT2AMEN1PTGS2
SCHEMBL13901918 0.92 CA1 (0.42) CA1CA2POLBKMT2APDK1
SCHEMBL4088650 0.91 POLB (0.40) CA1CA2POLBKMT2AMEN1
SCHEMBL13901600 0.83 GAA (0.41) KMT2APDK1PDK2PDK3PDK4
SCHEMBL4015076 0.81 POLB (0.46) POLBKMT2AMEN1PDK1PDK2
SCHEMBL4010350 0.81 MAPT (0.49) POLBKMT2AKDM4EMAPTNPSR1
SCHEMBL4450084 0.78 KMT2A (0.39) KMT2AMMP1GAAMMP12KDM4E
SCHEMBL13912537 0.77 RAB9A (0.39) CA1CA2POLBKMT2AMEN1
SCHEMBL13901654 0.75 POLB (0.48) POLBKMT2AMEN1KDM4EMAPT
SCHEMBL13901656 0.75 S1PR5 (0.43) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 CA1 4756/4885CA2 4619/4885POLB 1544/4885

“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.