SCHEMBL580828

SCHEMBL580828

COC(=O)N1CCC(C(=O)O)CC1c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NOTUM Q6P988 3/20 0.46
EPHX2 P34913 1/20 0.43
PTGDR Q13258 1/20 0.41
FFAR2 O15552 1/20 0.41
ALDH1A1 P00352 2/20 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
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 3/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL587439 0.91 CYP2C9 (0.50) CYP2C9CYP2C19NOTUMALDH1A1KDM4E
SCHEMBL582067 0.89 CYP2C9 (0.41) CYP2C9CYP2C19NOTUMEPHX2KMT2A
SCHEMBL580928 0.89 CYP2C19 (0.39) CYP2C9CYP2C19NOTUMEPHX2FFAR2
SCHEMBL581319 0.88 DPP4 (0.43) CYP2C9CYP2C19NOTUMEPHX2PTGDR
SCHEMBL581096 0.87 NOTUM (0.51) NOTUMEPHX2FFAR2GAAMEN1
SCHEMBL587087 0.85 KMT2A (0.39) CYP2C9CYP2C19NOTUMEPHX2ALDH1A1
SCHEMBL581675 0.83 CYP2C9 (0.44) CYP2C9CYP2C19GAAHPGDHSD17B10
SCHEMBL581832 0.83 NOTUM (0.44) NOTUMSMN1; SMN2
SCHEMBL580596 0.81 NOTUM (0.45) NOTUMEPHX2SMN1; SMN2
SCHEMBL587216 0.80 KMT2A (0.41) CYP2C9CYP2C19ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
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 CYP2C9 472/4885CYP2C19 966/4885NOTUM 2559/4885

“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.