SCHEMBL580959

SCHEMBL580959

O=C(O)C1CCN(C(=O)O)C(Cc2ccccc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
PKM P14618 1/20 0.41
DPP4 P27487 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 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
SCHEMBL581906 0.87 NOTUM (0.41) NOTUMPKMDPP4KDM4EALDH1A1
SCHEMBL582198 0.86 NOTUM (0.43) NOTUMKDM4EALDH1A1SIGMAR1L3MBTL1
SCHEMBL581397 0.85 ALDH1A1 (0.44) NOTUMDPP4KDM4EALDH1A1SIGMAR1
SCHEMBL581222 0.85 DPP4 (0.47) NOTUMDPP4ALDH1A1SIGMAR1TDP1
SCHEMBL582183 0.84 KDM4E (0.45) NOTUMDPP4KDM4EALDH1A1SIGMAR1
SCHEMBL587215 0.83 ALDH1A1 (0.42) NOTUMPKMDPP4KDM4EALDH1A1
SCHEMBL6952343 0.82 L3MBTL1 (0.49) NOTUML3MBTL1
SCHEMBL580893 0.79 NOTUM (0.46) NOTUMALDH1A1
SCHEMBL582219 0.79 ALDH1A1 (0.43) NOTUMDPP4KDM4EALDH1A1SIGMAR1
SCHEMBL587394 0.78 TACR1 (0.35) NOTUMALDH1A1L3MBTL1

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 2559/4885PKM 4789/4885DPP4 754/4885

“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.