SCHEMBL1772133

SCHEMBL1772133

CCOc1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.42
KMT2A Q03164 4/20 0.41
HSP90AA1 P07900 1/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
RAB9A P51151 1/20 0.41
CCR6 P51684 1/20 0.41
GFER P55789 1/20 0.41
PTPN11 Q06124 1/20 0.39
CYP19A1 P11511 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL1773185 0.84 PTPN11 (0.41) MAPTPOLBLMNAKMT2APTPN11
SCHEMBL20292908 0.82 KMT2A (0.44) MAPTPOLBLMNAKMT2AHSP90AA1
SCHEMBL1772859 0.78 L3MBTL1 (0.53) POLBKMT2ACYP19A1MEN1HTT
SCHEMBL1772606 0.77 BRD4 (0.44) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL31554575 0.75 HSPB1 (0.41) MAPTLMNAKMT2AHSP90AA1CXCR5
SCHEMBL12696587 0.74 L3MBTL1 (0.57) POLBLMNAKMT2AHSP90AA1CXCR5
SCHEMBL29751701 0.74 L3MBTL1 (0.57) POLBLMNAKMT2AHSP90AA1CXCR5
SCHEMBL1772515 0.72 BRD4 (0.54) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1772583 0.72 AGTR1 (0.43) LMNAKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL1564829 0.72 ENPP3 (0.41) MAPTPOLBLMNAKMT2APTPN11

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-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 1047/4885POLB 2230/4885LMNA 1344/4885

“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.