SCHEMBL580854

SCHEMBL580854

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(c2cc(F)c(F)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 3/20 0.35
KDM4E B2RXH2 3/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
BRD4 O60885 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL3069384 1.00 ALDH1A1 (0.38) ALDH1A1TMEM97SIGMAR1TDP1CHRM1
SCHEMBL582016 0.89 ALDH1A1 (0.44) ALDH1A1TMEM97SIGMAR1TDP1KDM4E
SCHEMBL581963 0.89 ALDH1A1 (0.44) ALDH1A1TMEM97SIGMAR1TDP1KDM4E
SCHEMBL593617 0.87 MGLL (0.38) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL3078690 0.87 MGLL (0.38) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL581707 0.87 MGLL (0.38) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL3072590 0.86 ALDH1A1 (0.43) ALDH1A1TDP1CHRM1KDM4ERECQL
SCHEMBL580838 0.86 ALDH1A1 (0.43) ALDH1A1TDP1CHRM1KDM4ERECQL
SCHEMBL3072798 0.86 ALDH1A1 (0.43) ALDH1A1TDP1CHRM1KDM4ERECQL
SCHEMBL581169 0.86 CYP11B1 (0.39) ALDH1A1TMEM97SIGMAR1KDM4EMAPK1

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 4 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
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 2598/4885TMEM97 1411/4885SIGMAR1 17/4885

“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.