SCHEMBL586767

SCHEMBL586767

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 3/20 0.40
CACNA1G O43497 1/20 0.39
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM5 P41594 1/20 0.38
ATM Q13315 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 0.91 KMT2A (0.43) ALDH1A1HPGDMAPTNPSR1HSD17B10
SCHEMBL587405 0.89 OPRK1 (0.43) ALDH1A1HPGDMAPTNPSR1HSD17B10
SCHEMBL588023 0.86 OPRK1 (0.45) ALDH1A1HPGDMAPTNPSR1HSD17B10
SCHEMBL586714 0.86 TACR1 (0.46) ALDH1A1HPGDMAPTNPSR1HSD17B10
SCHEMBL587316 0.86 ALDH1A1 (0.47) ALDH1A1HPGDMAPTNPSR1HSD17B10
SCHEMBL3083072 0.85 KMT2A (0.41) ALDH1A1MAPTKMT2ACACNA1GPOLB
SCHEMBL582368 0.85 KMT2A (0.41) ALDH1A1MAPTKMT2ACACNA1GPOLB
SCHEMBL580881 0.85 KMT2A (0.41) ALDH1A1MAPTKMT2ACACNA1GPOLB
SCHEMBL586719 0.83 OPRK1 (0.42) ALDH1A1HPGDMAPTNPSR1HSD17B10
SCHEMBL587414 0.83 SMN1; SMN2 (0.42) ALDH1A1HPGDMAPTNPSR1HSD17B10

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 ALDH1A1 2598/4885HPGD 3649/4885MAPT 4513/4885

“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.