SCHEMBL3075699

SCHEMBL3075699

CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC)[C@H](Cc2c(F)cccc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.37
NLRP3 Q96P20 1/20 0.36
BRD4 O60885 1/20 0.35
RAB9A P51151 2/20 0.35
HCRTR2 O43614 1/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 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
SCHEMBL581529 1.00 KDM4E (0.44) KDM4ESMN1; SMN2POLBTSHRKMT2A
SCHEMBL3081096 1.00 KDM4E (0.44) KDM4ESMN1; SMN2POLBTSHRKMT2A
SCHEMBL581773 0.89 ALDH1A1 (0.43) KDM4ESMN1; SMN2POLBTSHRKMT2A
SCHEMBL582199 0.89 ALDH1A1 (0.43) KDM4ESMN1; SMN2POLBTSHRKMT2A
SCHEMBL3073509 0.89 ALDH1A1 (0.43) KDM4ESMN1; SMN2POLBTSHRKMT2A
SCHEMBL3083072 0.85 KMT2A (0.41) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL580881 0.85 KMT2A (0.41) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL582368 0.85 KMT2A (0.41) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL582086 0.85 PPARG (0.40) KDM4EPOLBTSHRKMT2AMEN1
SCHEMBL3075705 0.85 PPARG (0.40) KDM4EPOLBTSHRKMT2AMEN1

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 KDM4E 2668/4885SMN1; SMN2 2619/4885POLB 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.