Sugi Predict

Sugi Predict / Compounds / SCHEMBL1300515

SCHEMBL1300515

SCHEMBL1300515

CCOC(=O)/C(=C\N[C@H](CO)C(C)C)C(=O)c1nc(Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 7/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ GAA P10253 4/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 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
SCHEMBL1300516 1.00 L3MBTL1 (0.39) L3MBTL1MAPTKDM4ENPSR1KMT2A
SCHEMBL1301475 0.85 MAPT (0.35) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL1300230 0.85 MAPT (0.35) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL12108278 0.85 MAPT (0.35) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL1300228 0.85 MAPT (0.35) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL1300523 0.84 MAPT (0.34) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL1300520 0.84 MAPT (0.34) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL12108299 0.83 MAPT (0.34) MAPTKDM4ENPSR1KMT2AMEN1
SCHEMBL21858958 0.81 NPSR1 (0.42) L3MBTL1MAPTKDM4ENPSR1KMT2A
SCHEMBL21858959 0.81 NPSR1 (0.42) L3MBTL1MAPTKDM4ENPSR1KMT2A

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 6 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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
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
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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 L3MBTL1 1224/4885MAPT 3259/4885KDM4E 656/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP L3MBTL1 1224/4885MAPT 3259/4885KDM4E 656/4885

“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.