SCHEMBL580893

SCHEMBL580893

O=C(O)C1CCN(C(=O)O)C(Cc2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
HTT P42858 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL6952343 0.87 L3MBTL1 (0.49) NOTUMHSD11B1SMN1; SMN2
SCHEMBL587055 0.87 HTR2A (0.45) NOTUMHTTHTR2AHTR2CHTR7
SCHEMBL587768 0.86 NOTUM (0.37) NOTUMHSD11B1
SCHEMBL581869 0.86 NOTUM (0.46) NOTUMTSHRS1PR5
SCHEMBL580834 0.86 NOTUM (0.41) NOTUMHTTHTR2AHTR2CHTR7
SCHEMBL581462 0.86 NOTUM (0.49) NOTUM
SCHEMBL582219 0.86 ALDH1A1 (0.43) NOTUMHSD11B1ALDH1A1TSHR
SCHEMBL581780 0.85 SIGMAR1 (0.41) ALDH1A1
SCHEMBL582096 0.83 NOTUM (0.46) NOTUMHTR2CHSD11B1S1PR5
SCHEMBL587394 0.83 TACR1 (0.35) NOTUMALDH1A1SMN1; SMN2

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 2559/4885HTT 2375/4885HTR2A 1114/4885

“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.