SCHEMBL581780

SCHEMBL581780

O=C(O)C1CCN(C(=O)O)C(Cc2cccc(F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
TACR1 P25103 1/20 0.40
GRM5 P41594 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
OPRM1 P35372 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL582162 0.88 KMT2A (0.43) SIGMAR1ALDH1A1HPGDTACR1POLB
SCHEMBL587768 0.87 NOTUM (0.37) SIGMAR1TACR1L3MBTL1POLB
SCHEMBL6952343 0.86 L3MBTL1 (0.49) TACR1L3MBTL1POLB
SCHEMBL3075266 0.85 TACR1 (0.50) SIGMAR1ALDH1A1TACR1KMT2AHRH3
SCHEMBL580893 0.85 NOTUM (0.46) ALDH1A1
SCHEMBL582219 0.84 ALDH1A1 (0.43) SIGMAR1ALDH1A1KDM4ETACR1L3MBTL1
SCHEMBL587394 0.81 TACR1 (0.35) ALDH1A1TACR1L3MBTL1POLB
SCHEMBL582198 0.81 NOTUM (0.43) SIGMAR1ALDH1A1KDM4EL3MBTL1POLB
SCHEMBL581222 0.81 DPP4 (0.47) SIGMAR1ALDH1A1
SCHEMBL581397 0.81 ALDH1A1 (0.44) SIGMAR1ALDH1A1KDM4E

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 SIGMAR1 17/4885ALDH1A1 2598/4885KDM4E 2668/4885

“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.