SCHEMBL4308593

SCHEMBL4308593

COc1ccc(N(C)c2nc(C)ncc2NS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.48
▸ GLO1 Q04760 1/20 0.47
▸ SLC40A1 Q9NP59 1/20 0.47
▸ FFAR4 Q5NUL3 3/20 0.46
▸ NFE2L2 Q16236 3/20 0.46
▸ SQSTM1 Q13501 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45

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
SCHEMBL13611601 0.95 TUBB4A (0.48) KEAP1GLO1SLC40A1FFAR4NFE2L2
SCHEMBL3106427 0.75 KDR (0.57) ALDH1A1PKMTUBB4ATUBBTUBA3C
SCHEMBL17528561 0.73 KDR (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12768028 0.68 KEAP1 (0.81) KEAP1GLO1SLC40A1FFAR4NFE2L2
SCHEMBL8752441 0.67 ALDH1A1 (0.72) KEAP1NFE2L2MEN1KMT2ATDP1
SCHEMBL5395537 0.67 ALDH1A1 (0.60) FFAR4MEN1KMT2AALDH1A1HPGD
SCHEMBL21437269 0.67 KEAP1 (0.70) KEAP1GLO1SLC40A1NFE2L2SQSTM1
SCHEMBL5860932 0.66 PKM (0.68) ALDH1A1PKMGAAMAPTKDM4E
SCHEMBL23555177 0.66 KEAP1 (1.00) KEAP1FFAR4NFE2L2SQSTM1MEN1
SCHEMBL9519315 0.65 KEAP1 (0.63) KEAP1FFAR4NFE2L2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 — — US claimed
WO-2008061112-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS INC (US) 2008-09-18 — — WO claimed
WO-2008061112-A2 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-05-22 — — WO claimed
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 — — US disclosed
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 — — US disclosed
US-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-12 — — US disclosed
WO-2008061112-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS INC (US) 2008-09-18 — — WO disclosed
WO-2008061112-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS INC (US) 2008-09-18 — — WO disclosed
WO-2008061112-A2 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-05-22 — — WO disclosed
WO-2008061112-A2 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-05-22 — — 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-20090280133-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 KEAP1 1980/4885GLO1 3086/4885SLC40A1 1176/4885

“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.

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