SCHEMBL13746307

SCHEMBL13746307

O=S(=O)(c1ccccc1)n1cc(I)c2cc(-c3ccc(F)cc3)cnc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.61
ALDH3A1 P30838 1/20 0.41
PTPN11 Q06124 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR6 P50406 4/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN2B Q13224 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELAVL1 Q15717 1/20 0.36
NEK2 P51955 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
SCHEMBL1799967 0.92 BRD4 (0.67) BRD4PTPN11HTR6
SCHEMBL13745655 0.88 BRD4 (0.58) BRD4ALDH3A1PTPN11HTR6
SCHEMBL1887325 0.87 BRD4 (0.58) BRD4ALDH3A1HTR6PKM
SCHEMBL1487598 0.85 BRD4 (0.61) BRD4PTPN11MAPTMEN1ALDH1A1
SCHEMBL13745697 0.85 BRD4 (0.61) BRD4PTPN11MAPTMEN1ALDH1A1
SCHEMBL13745848 0.85 BRD4 (0.58) BRD4PTPN11HTR6
SCHEMBL8324896 0.85 BRD4 (0.60) BRD4PTPN11HTR6GRIN2B
SCHEMBL1850782 0.84 BRD4 (0.64) BRD4ALDH3A1PTPN11MAPTALDH1A1
SCHEMBL8321863 0.83 BRD4 (0.61) BRD4PTPN11HTR6GAA
SCHEMBL15778909 0.82 BRD4 (0.60) BRD4PTPN11

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-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1339/4885ALDH3A1 4367/4885PTPN11 1694/4885

“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.