SCHEMBL3042869

SCHEMBL3042869

CNC(=O)C[C@H](C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ECE1 P42892 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.36
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
STING1 Q86WV6 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL24696823 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1ECE1TDP1
SCHEMBL3042873 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1ECE1TDP1
SCHEMBL17066710 0.82 ECE1 (0.37) SLC1A3SLC1A2SLC1A1ECE1TDP1
SCHEMBL2450288 0.80 ECE1 (0.44) SLC1A3SLC1A2SLC1A1ECE1TDP1
SCHEMBL22952375 0.80 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1ECE1TDP1
SCHEMBL2450285 0.80 ECE1 (0.44) SLC1A3SLC1A2SLC1A1ECE1TDP1
SCHEMBL24696825 0.80 ECE1 (0.44) SLC1A3SLC1A2SLC1A1ECE1TDP1
SCHEMBL3042939 0.78 SMN1; SMN2 (0.40) ECE1MAPTMCL1LMNA
SCHEMBL3042933 0.78 SMN1; SMN2 (0.40) ECE1MAPTMCL1LMNA
SCHEMBL3217572 0.78 TDP1 (0.50) SLC1A3SLC1A2SLC1A1ECE1TDP1

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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
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 SLC1A3 1467/4885SLC1A2 1427/4885SLC1A1 1296/4885

“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.