SCHEMBL580910

SCHEMBL580910

O=C(O)C1CCN(C(=O)O)C(Cc2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.45
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOTUM Q6P988 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
TACR3 P29371 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 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
SCHEMBL587768 0.89 NOTUM (0.37) TACR1POLBNOTUM
SCHEMBL581312 0.88 TACR1 (0.43) TACR1POLBCYP2C9CYP2C19FFAR4
SCHEMBL3075266 0.84 TACR1 (0.50) TACR1NOTUM
SCHEMBL581462 0.83 NOTUM (0.49) TACR1NOTUM
SCHEMBL3081551 0.81 TACR1 (0.39) TACR1FFAR4RXRARXRBRXRG
SCHEMBL587394 0.81 TACR1 (0.35) TACR1POLBCYP2C9CYP2C19NOTUM
SCHEMBL581780 0.80 SIGMAR1 (0.41) TACR1POLB
SCHEMBL586918 0.80 MAPT (0.44) TACR1UBE2MDCUN1D1
SCHEMBL580893 0.79 NOTUM (0.46) NOTUM
SCHEMBL580965 0.79 NOTUM (0.43) TACR1NOTUM

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 TACR1 474/4885POLB 4067/4885CYP2C9 472/4885

“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.