SCHEMBL581485

SCHEMBL581485

COC(=O)N1CCC(C(=O)O)CC1Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL586614 0.96 ALDH1A1 (0.43) ALDH1A1NR1H2NR1H3MAPTHPGD
SCHEMBL586837 0.91 ALDH1A1 (0.44) ALDH1A1NR1H2NR1H3MAPTHPGD
SCHEMBL581631 0.89 ALDH1A1 (0.46) ALDH1A1NR1H2NR1H3EPHX2CHRM5
SCHEMBL580852 0.86 PSEN1 (0.49) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL581154 0.85 CHIT1 (0.43) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL580834 0.85 NOTUM (0.41) ALDH1A1MAPTKMT2AHTTPSEN1
SCHEMBL582325 0.85 LMNA (0.40) ALDH1A1MAPTHPGDNPSR1MEN1
SCHEMBL581238 0.83 NPC1 (0.41) ALDH1A1HSD17B10MEN1KMT2APSEN1
SCHEMBL27869900 0.83 PSEN1 (0.37) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL581527 0.82 TACR1 (0.46) MAPTKMT2ACYP3A4TACR1

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 ALDH1A1 2598/4885NR1H2 50/4885NR1H3 31/4885

“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.