SCHEMBL582065

SCHEMBL582065

COC(=O)C1CCNC(Cc2ccc(S(C)(=O)=O)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 2/20 0.36
ADAM17 P78536 2/20 0.36
S1PR1 P21453 1/20 0.36
PLG P00747 1/20 0.35
PNMT P11086 2/20 0.35
EPHX1 P07099 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL580826 0.84 PLG (0.50) SLC6A4MMP1ADAM17PLG
SCHEMBL581121 0.84 SMN1; SMN2 (0.42) SLC6A4KMT2ASMN1; SMN2
SCHEMBL580899 0.84 PLG (0.48) SLC6A4ALDH1A1MAPTHPGDNPSR1
SCHEMBL581990 0.81 CYP3A4 (0.43) MAPTPLGKMT2A
SCHEMBL581181 0.80 ALDH1A1 (0.42) SLC6A4ALDH1A1MMP1ADAM17PLG
SCHEMBL581932 0.79 HTR2C (0.49) ALDH1A1EPHX1SMN1; SMN2
Hydrochloric Acid SCHEMBL580687 0.78 SLC6A4 (0.46) SLC6A4PKMALDH1A1MAPTHPGD
SCHEMBL580821 0.78 PLG (0.38) SLC6A4PLG
SCHEMBL3073226 0.77 CHRNB2 (0.32) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL581503 0.76 PLG (0.53) SLC6A4PLGKMT2A

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 SLC6A4 64/4885PKM 4789/4885ALDH1A1 2598/4885

“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.