SCHEMBL3307614

SCHEMBL3307614

CC(C)CC(COC(=O)CCCO)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CAPN1 P07384 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CTSK P43235 2/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CYP2D6 P10635 1/20 0.38

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
SCHEMBL16124691 0.90 CAPN1 (0.46) AAK1CA1CA2CA7CAPN1
SCHEMBL3305639 0.90 AAK1 (0.48) AAK1CA1CA2CA7CAPN1
SCHEMBL13416354 0.84 AAK1 (0.42) AAK1CA1CA2CA7CAPN1
SCHEMBL3306254 0.82 AAK1 (0.41) AAK1CA1CA2CA7CAPN1
SCHEMBL7444041 0.80 TDP1 (0.49) AAK1CA1CA2CA7CAPN1
SCHEMBL17803909 0.79 AAK1 (0.50) AAK1CA1CA2CA7CAPN1
SCHEMBL6605636 0.78 AAK1 (0.49) AAK1CA1CA2CA7CAPN1
SCHEMBL19227630 0.78 CA1 (0.58) AAK1CA1CA2CA7CAPN1
SCHEMBL14923598 0.77 AAK1 (0.53) AAK1CA1CA2CA7CAPN1
SCHEMBL3375872 0.77 AAK1 (0.53) AAK1CA1CA2CA7CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 US disclosed
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 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 (2 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 AAK1 3632/4885CA1 4365/4885CA2 2916/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 AAK1 3349/4885CA1 4414/4885CA2 2652/4885

“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.