SCHEMBL587439

SCHEMBL587439

COC(=O)C1CCN(C(=O)OC)C(c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
OPRK1 P41145 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 5/20 0.39
CNR2 P34972 4/20 0.39
NOTUM Q6P988 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL580828 0.91 CYP2C9 (0.50) CYP2C9CYP2C19SMN1; SMN2ALDH1A1MEN1
SCHEMBL587216 0.89 KMT2A (0.41) CYP2C9CYP2C19SMN1; SMN2ALDH1A1MEN1
SCHEMBL587087 0.85 KMT2A (0.39) CYP2C9CYP2C19SMN1; SMN2ALDH1A1MEN1
SCHEMBL581675 0.83 CYP2C9 (0.44) CYP2C9CYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL587444 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AL3MBTL1SLC6A3
SCHEMBL3079872 0.81 OPRK1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AOPRK1
SCHEMBL581319 0.80 DPP4 (0.43) CYP2C9CYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL582067 0.80 CYP2C9 (0.41) CYP2C9CYP2C19KMT2AMAPTNOTUM
SCHEMBL580928 0.80 CYP2C19 (0.39) CYP2C9CYP2C19SMN1; SMN2KMT2AMAPT
SCHEMBL586709 0.79 TP53 (0.41) SMN1; SMN2ALDH1A1KMT2AOPRK1GAA

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 CYP2C9 472/4885CYP2C19 966/4885SMN1; SMN2 2619/4885

“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.