SCHEMBL582163

SCHEMBL582163

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.46
IDH2 P48735 1/20 0.40
SLC6A9 P48067 4/20 0.39
TACR1 P25103 4/20 0.39
FFAR4 Q5NUL3 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR2 O15552 1/20 0.37

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
SCHEMBL581040 0.88 TACR1 (0.47) NOTUMIDH2TACR1FFAR4
SCHEMBL580684 0.88 NOTUM (0.42) NOTUMIDH2SLC6A9TACR1MEN1
SCHEMBL3086468 0.85 NOTUM (0.42) NOTUMSLC6A9TACR1HSD11B1
SCHEMBL582014 0.83 NOTUM (0.43) NOTUMHSD11B1KMT2A
SCHEMBL586675 0.83 FFAR4 (0.50) NOTUMFFAR4HSD11B1
SCHEMBL581556 0.82 NOTUM (0.53) NOTUMIDH2SLC6A9POLBHSD11B1
SCHEMBL581657 0.81 NOTUM (0.52) NOTUMSLC6A9POLBCYP2C9CYP2C19
SCHEMBL3075498 0.81 NOTUM (0.37) NOTUMCYP2C19TSHR
SCHEMBL587743 0.79 MAPT (0.41) SLC6A9TACR1MEN1TSHRKMT2A
SCHEMBL581119 0.77 NOTUM (0.43) NOTUMIDH2TACR1FFAR2

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 NOTUM 2559/4885IDH2 829/4885SLC6A9 1336/4885

“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.