SCHEMBL580837

SCHEMBL580837

CS(=O)(=O)c1ccc(C2CC(C(=O)O)CCN2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.39
FFAR2 O15552 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PTGS2 P35354 5/20 0.38
SLC18A3 Q16572 1/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
HRH1 P35367 1/20 0.36
APEX1 P27695 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
SCHEMBL580914 0.88 SLC6A4 (0.42) RIPK1ALDH1A1EPHX2TSHRPTGS2
SCHEMBL587575 0.84 SLC6A4 (0.43) RIPK1ALDH1A1EPHX2PTGS2SLC6A4
SCHEMBL580929 0.82 AKR1C3 (0.51) RIPK1
SCHEMBL3072715 0.81 NOTUM (0.49) FFAR2
SCHEMBL581665 0.81 NOTUM (0.49) RIPK1ALDH1A1FFAR2
SCHEMBL581986 0.80 RIPK1 (0.43) RIPK1EPHX2FFAR2
SCHEMBL16401122 0.80 RIPK1 (0.46) RIPK1EPHX2PTGS2
SCHEMBL581631 0.79 ALDH1A1 (0.46) ALDH1A1EPHX2DRD2HRH1
SCHEMBL586843 0.78 SLC6A4 (0.47) RIPK1ALDH1A1EPHX2PTGS2SLC6A4
SCHEMBL581657 0.77 NOTUM (0.52) RIPK1ALDH1A1KDM4EGAALMNA

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 RIPK1 4457/4885ALDH1A1 2598/4885EPHX2 3080/4885

“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.