SCHEMBL580914

SCHEMBL580914

COC(=O)N1CCC(C(=O)O)CC1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
EPHX2 P34913 1/20 0.39
APEX1 P27695 1/20 0.38
PTGS2 P35354 2/20 0.38
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR2 O43614 1/20 0.37
NPY2R P49146 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL587575 0.96 SLC6A4 (0.43) SLC6A4EPHX2APEX1PTGS2RIPK1
SCHEMBL586843 0.91 SLC6A4 (0.47) SLC6A4EPHX2PTGS2RIPK1ALDH1A1
SCHEMBL582438 0.88 ALDH1A1 (0.36) SLC6A4ALDH1A1TSHRPKMLMNA
SCHEMBL582439 0.88 ALDH1A1 (0.36) SLC6A4ALDH1A1TSHRPKMLMNA
SCHEMBL580837 0.88 RIPK1 (0.41) SLC6A4EPHX2APEX1PTGS2RIPK1
SCHEMBL582155 0.85 RIPK1 (0.47) SLC6A4RIPK1ALDH1A1SMN1; SMN2HCRTR2
SCHEMBL581832 0.84 NOTUM (0.44) SLC6A4SMN1; SMN2
SCHEMBL581784 0.84 NOTUM (0.44) SLC6A4ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL582400 0.83 ALDH1A1 (0.39) SLC6A4ALDH1A1TSHRPKMLMNA
SCHEMBL3074797 0.83 ALDH1A1 (0.39) SLC6A4ALDH1A1TSHRPKMLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 SLC6A4 64/4885EPHX2 3080/4885APEX1 2779/4885

“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.