SCHEMBL3074797

SCHEMBL3074797

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](c2ccc(S(C)(=O)=O)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL582400 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAPOLBGPR119
SCHEMBL581813 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAPOLBGPR119
SCHEMBL582439 0.96 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAPOLBGPR119
SCHEMBL582438 0.96 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAPOLBGPR119
SCHEMBL3072815 0.87 GAA (0.40) ALDH1A1KMT2AGAATSHRNPSR1
SCHEMBL581313 0.87 GAA (0.40) ALDH1A1KMT2AGAATSHRNPSR1
SCHEMBL580925 0.87 KMT2A (0.43) ALDH1A1KMT2AGAAHTT
SCHEMBL3075410 0.87 KMT2A (0.43) ALDH1A1KMT2AGAAHTT
SCHEMBL3075467 0.87 KMT2A (0.43) ALDH1A1KMT2AGAAHTT
SCHEMBL3073621 0.87 GAA (0.40) ALDH1A1KMT2AGAATSHRNPSR1

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-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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 (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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 ALDH1A1 2598/4885KMT2A 3820/4885LMNA 3853/4885

“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.