SCHEMBL587743

SCHEMBL587743

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
TACR1 P25103 6/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A9 P48067 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL580684 0.92 NOTUM (0.42) MAPTMEN1TSHRKMT2AUBE2M
SCHEMBL586480 0.90 TACR1 (0.42) MAPTTDP1ENPP2UBE2MDCUN1D1
SCHEMBL586709 0.87 TP53 (0.41) TDP1KMT2ASLC6A9
SCHEMBL587057 0.87 TACR1 (0.40) MAPTTDP1ENPP2TACR1
SCHEMBL587408 0.85 FFAR4 (0.40) ENPP2TACR1
SCHEMBL587216 0.85 KMT2A (0.41) MAPTMEN1KMT2A
SCHEMBL581169 0.85 CYP11B1 (0.39) TACR1KDM4ETMEM97SIGMAR1
SCHEMBL581644 0.85 CYP11B1 (0.39) TACR1KDM4ETMEM97SIGMAR1
SCHEMBL599010 0.85 CYP11B1 (0.39) TACR1KDM4ETMEM97SIGMAR1
SCHEMBL586920 0.84 MAPT (0.42) MAPTTDP1MEN1TSHRKMT2A

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 MAPT 4513/4885TDP1 3355/4885MEN1 3757/4885

“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.