SCHEMBL581986

SCHEMBL581986

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
FFAR2 O15552 1/20 0.38
NOTUM Q6P988 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A2 P23975 1/20 0.36
EPHX2 P34913 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL581263 0.87 SLC6A2 (0.41) RIPK1MEN1KMT2ARAB9ASLC6A2
SCHEMBL581657 0.86 NOTUM (0.52) RIPK1NOTUM
SCHEMBL581689 0.85 RIPK1 (0.42) RIPK1MEN1KMT2ANOTUM
SCHEMBL580929 0.83 AKR1C3 (0.51) RIPK1NOTUMRAB9A
SCHEMBL581665 0.82 NOTUM (0.49) RIPK1KMT2AFFAR2NOTUM
SCHEMBL3072715 0.82 NOTUM (0.49) MEN1KMT2AFFAR2NOTUM
SCHEMBL580837 0.80 RIPK1 (0.41) RIPK1FFAR2EPHX2
SCHEMBL586744 0.77 SLC6A2 (0.46) RIPK1MEN1KMT2ARAB9ASLC6A2
SCHEMBL582132 0.76 NOTUM (0.47) NOTUMEPHX2
SCHEMBL5258300 0.76 TDP1 (0.45) NOTUM

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 4457/4885MEN1 3757/4885KMT2A 3820/4885

“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.