SCHEMBL1300877

SCHEMBL1300877

CCOC(=O)C(=CN[C@H](CO)C(C)C)C(=O)c1ncc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 6/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABCB1 P08183 1/20 0.34
CNR2 P34972 1/20 0.34
DHODH Q02127 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1300874 1.00 NPSR1 (0.43) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL12107893 0.87 NPSR1 (0.44) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL1300228 0.84 MAPT (0.35) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL1301475 0.84 MAPT (0.35) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL1300230 0.84 MAPT (0.35) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL12108278 0.84 MAPT (0.35) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL1300523 0.83 MAPT (0.34) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL1300520 0.83 MAPT (0.34) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL1300763 0.82 NPSR1 (0.39) NPSR1MAPTGAAKDM4EALDH1A1
SCHEMBL1300760 0.82 NPSR1 (0.39) NPSR1MAPTGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP NPSR1 4732/4885MAPT 3259/4885GAA 176/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP NPSR1 4732/4885MAPT 3259/4885GAA 176/4885

“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.