SCHEMBL3185341

SCHEMBL3185341

C=CCCC(C)CC(NC(=O)OC(C)(C)C)[C@H]1CCC(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.34
PSMB5 P28074 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
MAPT P10636 2/20 0.33
CTSK P43235 3/20 0.32
KMT2A Q03164 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
MAP1LC3A Q9H492 1/20 0.31
PRKCA P17252 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 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
SCHEMBL3185350 1.00 REN (0.34) RENPSMB5CA1CA2CA7
SCHEMBL3185338 1.00 REN (0.34) RENPSMB5CA1CA2CA7
SCHEMBL3185355 1.00 REN (0.34) RENPSMB5CA1CA2CA7
SCHEMBL3184308 0.91 CA1 (0.34) PSMB5CA1CA2CA7MAPT
SCHEMBL3184303 0.91 CA1 (0.34) PSMB5CA1CA2CA7MAPT
SCHEMBL3184297 0.91 CA1 (0.34) PSMB5CA1CA2CA7MAPT
SCHEMBL3184315 0.91 CA1 (0.34) PSMB5CA1CA2CA7MAPT
SCHEMBL3198061 0.90 LMNA (0.36) PSMB5CA1CA2CA7MAPT
SCHEMBL3198072 0.90 LMNA (0.36) PSMB5CA1CA2CA7MAPT
SCHEMBL3198057 0.90 LMNA (0.36) PSMB5CA1CA2CA7MAPT

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-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 REN 167/4885PSMB5 1560/4885CA1 2909/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 REN 167/4885PSMB5 1560/4885CA1 2909/4885

“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.