SCHEMBL581707

SCHEMBL581707

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(c2ccc(Cl)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR4 O00206 1/20 0.37
CXCR3 P49682 2/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP4 P27487 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
SCHEMBL3078690 1.00 MGLL (0.38) MGLLSMN1; SMN2KDM4ETSHRPOLB
SCHEMBL593617 1.00 MGLL (0.38) MGLLSMN1; SMN2KDM4ETSHRPOLB
SCHEMBL581675 0.90 CYP2C9 (0.44) MGLLSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL581963 0.90 ALDH1A1 (0.44) SMN1; SMN2KDM4EMEN1KMT2AHTT
SCHEMBL582016 0.90 ALDH1A1 (0.44) SMN1; SMN2KDM4EMEN1KMT2AHTT
SCHEMBL581788 0.87 HSD17B10 (0.40) SMN1; SMN2KDM4ETSHRPOLBMEN1
SCHEMBL3069384 0.87 ALDH1A1 (0.38) SMN1; SMN2KDM4ETSHRPOLBMEN1
SCHEMBL580854 0.87 ALDH1A1 (0.38) SMN1; SMN2KDM4ETSHRPOLBMEN1
SCHEMBL599010 0.87 CYP11B1 (0.39) MGLLSMN1; SMN2KDM4EPOLBHTT
SCHEMBL581169 0.87 CYP11B1 (0.39) MGLLSMN1; SMN2KDM4EPOLBHTT

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 MGLL 4656/4885SMN1; SMN2 2619/4885KDM4E 2668/4885

“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.