SCHEMBL582198

SCHEMBL582198

O=C(O)C1CCN(C(=O)O)C(Cc2c(F)cccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A1 P30531 2/20 0.35

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
SCHEMBL580897 0.87 SMN1; SMN2 (0.39) NOTUMSMN1; SMN2POLBKDM4ETSHR
SCHEMBL580959 0.86 NOTUM (0.45) NOTUMKDM4EKMT2AALDH1A1SIGMAR1
SCHEMBL581780 0.81 SIGMAR1 (0.41) POLBKDM4EKMT2AALDH1A1SIGMAR1
SCHEMBL6952343 0.81 L3MBTL1 (0.49) NOTUMSMN1; SMN2POLBL3MBTL1
SCHEMBL580893 0.80 NOTUM (0.46) NOTUMSMN1; SMN2TSHRALDH1A1
SCHEMBL582219 0.80 ALDH1A1 (0.43) NOTUMKDM4ETSHRALDH1A1SIGMAR1
SCHEMBL587394 0.79 TACR1 (0.35) NOTUMSMN1; SMN2POLBALDH1A1L3MBTL1
SCHEMBL581397 0.79 ALDH1A1 (0.44) NOTUMSMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL581222 0.79 DPP4 (0.47) NOTUMALDH1A1SIGMAR1
SCHEMBL587768 0.77 NOTUM (0.37) NOTUMPOLBSIGMAR1L3MBTL1

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 2559/4885SMN1; SMN2 2619/4885POLB 4067/4885

“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.