SCHEMBL587408

SCHEMBL587408

COC(=O)C1CCN(C(=O)OC)C(c2ccc(OC(F)(F)F)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
NOTUM Q6P988 1/20 0.40
HSD11B1 P28845 2/20 0.39
POLB P06746 1/20 0.38
ENPP2 Q13822 1/20 0.38
HCRTR2 O43614 1/20 0.37
CHRM4 P08173 1/20 0.37
EPHX2 P34913 3/20 0.36
MGLL Q99685 1/20 0.36
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36
KDR P35968 2/20 0.35
BRAF P15056 1/20 0.35
CPS1 P31327 1/20 0.35
CFD P00746 2/20 0.35
TACR1 P25103 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
SCHEMBL580859 0.92 FFAR4 (0.47) FFAR4NOTUMHSD11B1POLBENPP2
SCHEMBL587743 0.85 MAPT (0.41) ENPP2TACR1
SCHEMBL582009 0.85 POLB (0.42) FFAR4NOTUMHSD11B1POLBENPP2
SCHEMBL582008 0.85 POLB (0.42) FFAR4NOTUMHSD11B1POLBENPP2
SCHEMBL582329 0.85 POLB (0.42) FFAR4NOTUMHSD11B1POLBENPP2
SCHEMBL586709 0.85 TP53 (0.41) HSD11B1POLBHCRTR2MMP1ADAM17
SCHEMBL587216 0.83 KMT2A (0.41)
SCHEMBL581486 0.82 FFAR4 (0.40) FFAR4NOTUMHSD11B1POLBENPP2
Hydrochloric Acid SCHEMBL581934 0.82 FFAR4 (0.40) FFAR4NOTUMHSD11B1POLBENPP2
SCHEMBL3074022 0.81 OPRK1 (0.36) MMP1ADAM17

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 FFAR4 10/4885NOTUM 2559/4885HSD11B1 1197/4885

“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.