SCHEMBL3072815

SCHEMBL3072815

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL581313 1.00 GAA (0.40) GAATSHRMAPTMAOAMAOB
SCHEMBL3073621 1.00 GAA (0.40) GAATSHRMAPTMAOAMAOB
SCHEMBL3075467 0.89 KMT2A (0.43) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL3075410 0.89 KMT2A (0.43) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL580925 0.89 KMT2A (0.43) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL581434 0.89 GAA (0.35) GAATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3078571 0.89 GAA (0.35) GAATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3075515 0.89 GAA (0.35) GAATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL581826 0.89 RIPK1 (0.42) GAATSHRMAPTMAOAMAOB
SCHEMBL581827 0.89 RIPK1 (0.42) GAATSHRMAPTMAOAMAOB

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 GAA 4714/4885TSHR 92/4885MAPT 4513/4885

“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.