SCHEMBL587768

SCHEMBL587768

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.37
TACR1 P25103 7/20 0.36
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HSD11B1 P28845 2/20 0.33
OPRK1 P41145 1/20 0.33
POLB P06746 1/20 0.33
CCR3 P51677 1/20 0.32

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
SCHEMBL580910 0.89 TACR1 (0.45) NOTUMTACR1POLB
SCHEMBL587394 0.88 TACR1 (0.35) NOTUMTACR1L3MBTL1POLB
SCHEMBL581780 0.87 SIGMAR1 (0.41) TACR1SIGMAR1L3MBTL1POLB
SCHEMBL580893 0.86 NOTUM (0.46) NOTUMHSD11B1
SCHEMBL581731 0.86 PSEN1 (0.36) NOTUMTACR1SIGMAR1HDAC6OPRK1
SCHEMBL582219 0.83 ALDH1A1 (0.43) NOTUMTACR1SIGMAR1L3MBTL1HSD11B1
SCHEMBL582159 0.83 OPRK1 (0.36) TACR1OPRK1
SCHEMBL6952343 0.82 L3MBTL1 (0.49) NOTUMTACR1L3MBTL1HSD11B1POLB
SCHEMBL3081551 0.81 TACR1 (0.39) TACR1L3MBTL1
SCHEMBL581397 0.80 ALDH1A1 (0.44) NOTUMSIGMAR1

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 2559/4885TACR1 474/4885SIGMAR1 17/4885

“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.