SCHEMBL3176868

SCHEMBL3176868

C=CCC[C@@H](C)C[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 9/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.40
PLA2G2C Q5R387 1/20 0.39
GNPAT O15228 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
SCHEMBL3176866 1.00 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL3184286 0.84 TAS1R3 (0.43) ALDH1A1FOLH1PLA2G2C
SCHEMBL3184278 0.84 TAS1R3 (0.43) ALDH1A1FOLH1PLA2G2C
SCHEMBL3195908 0.80 CTSK (0.47) SMN1; SMN2FOLH1
SCHEMBL3195905 0.80 CTSK (0.47) SMN1; SMN2FOLH1
SCHEMBL17550380 0.77 ALDH1A1 (0.65) ALDH1A1MAPTKDM4ETHRBALOX15
Levacetylleucine SCHEMBL9438432 0.77 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETHRBALOX15
Levacetylleucine SCHEMBL714003 0.77 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETHRBALOX15
Acetylleucine SCHEMBL282371 0.77 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETHRBALOX15
Levacetylleucine SCHEMBL282372 0.77 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ETHRBALOX15

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 ALDH1A1 4236/4885MAPT 3352/4885KDM4E 2879/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 ALDH1A1 4236/4885MAPT 3352/4885KDM4E 2879/4885

“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.