SCHEMBL3073509

SCHEMBL3073509

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](Cc2ccccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 5/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
ENPP2 Q13822 1/20 0.37
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL582199 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPK1NPSR1
SCHEMBL581773 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPK1NPSR1
SCHEMBL581529 0.89 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPK1NPSR1
SCHEMBL3081096 0.89 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPK1NPSR1
SCHEMBL3075699 0.89 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPK1NPSR1
SCHEMBL3076465 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1KMT2ASMN1; SMN2
SCHEMBL581683 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1KMT2ASMN1; SMN2
SCHEMBL3080101 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1KMT2ASMN1; SMN2
SCHEMBL3075396 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL3081361 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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 2598/4885KDM4E 2668/4885POLB 4067/4885

“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.