SCHEMBL14968141

SCHEMBL14968141

CCN1CCN(S(=O)(=O)c2cn(C)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.48
POLB P06746 3/20 0.47
TSHR P16473 1/20 0.46
TP53 P04637 2/20 0.46
SLC6A9 P48067 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL12726886 0.84 LMNA (0.51) LMNAPKMCYP2D6POLBTSHR
SCHEMBL21670323 0.81 LMNA (0.56) LMNAPKMPOLBTSHRTP53
SCHEMBL9034156 0.78 LMNA (0.53) LMNAPKMPOLBTSHRTP53
SCHEMBL14837754 0.78 LMNA (0.53) LMNAPKMALDH1A1POLBTSHR
SCHEMBL7025605 0.78 TP53 (0.59) LMNAPKMPOLBTP53SLC6A9
SCHEMBL16511272 0.77 SLC6A9 (0.57) LMNAPKMPOLBTP53SLC6A9
SCHEMBL24477715 0.77 LMNA (0.55) LMNAPKMPOLBTP53
Hydrochloric Acid SCHEMBL1181300 0.77 LMNA (0.52) LMNAPKMALDH1A1POLBTSHR
SCHEMBL9400522 0.77 LMNA (0.52) LMNAPKMPOLBTSHRTP53
SCHEMBL7137676 0.77 POLB (0.54) LMNAPKMPOLBTP53SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 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-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA LMNA 1065/4885PKM 361/4885ALDH1A1 4026/4885

“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.