SCHEMBL3042939

SCHEMBL3042939

CNC(=O)CC(C(=O)OC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.35
CA14 Q9ULX7 3/20 0.35
CA12 O43570 2/20 0.35
ECE1 P42892 3/20 0.35
MAPT P10636 2/20 0.33
MME P08473 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.32
BIRC2 Q13490 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3042933 1.00 SMN1; SMN2 (0.40) SMN1; SMN2LMNACA14CA12ECE1
SCHEMBL27210229 0.83 ALDH1A1 (0.44) SMN1; SMN2CA14CA12MMECA7
SCHEMBL1176824 0.78 TDP1 (0.44) SMN1; SMN2CA14CA12ECE1MME
SCHEMBL9212731 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12MAPTCA7
SCHEMBL5513850 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12MAPTCA7
SCHEMBL1176819 0.78 TDP1 (0.44) SMN1; SMN2CA14CA12ECE1MME
SCHEMBL17000160 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12MAPTCA7
SCHEMBL1177115 0.78 TDP1 (0.44) SMN1; SMN2CA14CA12ECE1MME
SCHEMBL24696823 0.78 SLC1A3 (0.43) LMNAECE1MAPTMCL1
SCHEMBL3042873 0.78 SLC1A3 (0.43) LMNAECE1MAPTMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SMN1; SMN2 877/4885LMNA 1174/4885CA14 778/4885

“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.