SCHEMBL13770844

SCHEMBL13770844

CC(CCN(C)S(C)(=O)=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.39
CHRNA4 P43681 12/20 0.39
CHRNB4 P30926 10/20 0.39
CHRNA3 P32297 8/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 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
SCHEMBL13553459 0.81 MEN1 (0.38) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL13780923 0.78 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15830080 0.77 TP53 (0.38) MEN1KMT2A
SCHEMBL15384938 0.76 MEN1 (0.34) MEN1KMT2A
SCHEMBL4444854 0.74 MEN1 (0.33) MEN1KMT2A
SCHEMBL13780657 0.74 MEN1 (0.33) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL12967465 0.73 PSEN1 (0.37) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL15384936 0.71 MEN1 (0.38) MEN1KMT2A
SCHEMBL15384963 0.71 LMNA (0.37) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL12967478 0.71 MEN1 (0.31) MEN1KMT2A

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
EP-2231628-B1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES INC (US) 2015-10-28 EP disclosed
US-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
WO-2009088719-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-16 WO disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 CHRNB2 2946/4885CHRNA4 4243/4885CHRNB4 3631/4885

“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.