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Sugi Predict / Compounds / SCHEMBL1461811

SCHEMBL1461811

SCHEMBL1461811

CC(C)CS(=O)(=O)N(c1ccc(Cl)c(C(=O)OCc2ccccc2)c1F)S(=O)(=O)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SPPL2A Q8TCT8 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ STAT3 P40763 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
SCHEMBL8000118 0.86 ALDH1A1 (0.39) CA1CA2KMT2ATDP1SLC6A2
SCHEMBL14765666 0.83 CA1 (0.37) CA1CA2KMT2ATDP1SLC6A2
SCHEMBL20725671 0.75 ALDH1A1 (0.35) CA1CA2KMT2ATDP1SLC6A2
SCHEMBL26075291 0.75 TDP1 (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL14574716 0.73 CA1 (0.32) CA1CA2KMT2ATDP1SLC6A2
SCHEMBL1490930 0.72 ALDH1A1 (0.39) CA1CA2KMT2ATDP1SLC6A2
SCHEMBL913073 0.72 KMT2A (0.47) CA1CA2KMT2ATDP1SLC6A2
SCHEMBL29562425 0.72 KMT2A (0.47) CA1CA2KMT2ATDP1SLC6A2
SCHEMBL26075682 0.71 ALDH1A1 (0.50) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL912809 0.71 CA1 (0.34) CA1CA2KMT2ATDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 — — US disclosed
WO-2012118492-A1 HETEROCYCLIC SULFONAMIDES AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 — — WO disclosed
EP-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 — — EP disclosed
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 — — EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 — — US disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 — — WO disclosed
WO-2011025940-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 — — 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 (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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CA1 2686/4885CA2 3460/4885KMT2A 3293/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CA1 2686/4885CA2 3460/4885KMT2A 3293/4885

“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.