SCHEMBL4795759

SCHEMBL4795759

O=S(=O)(CCCO)N(Cc1cccc(Cl)c1Cl)c1ccc(-c2cnco2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
NOTUM Q6P988 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
PKM P14618 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
LTA4H P09960 1/20 0.33
KEAP1 Q14145 1/20 0.32
CCR9 P51686 3/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL4796737 0.90 CYP3A4 (0.36) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4790813 0.89 CYP3A4 (0.35) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4793479 0.88 CYP3A4 (0.37) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4773203 0.87 KMT2A (0.35) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4775343 0.87 GAA (0.37) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4776753 0.85 GAA (0.35) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4775119 0.85 GAA (0.36) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4794670 0.85 GAA (0.36) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4767799 0.85 GAA (0.34) CYP3A4CYP2D6NOTUMPSEN1PSEN2
SCHEMBL4777511 0.85 GAA (0.43) CYP3A4CYP2D6NOTUMPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CYP3A4 4782/4885CYP2D6 4730/4885NOTUM 3426/4885

“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.