SCHEMBL581832

SCHEMBL581832

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
MAPT P10636 1/20 0.44
AKR1C3 P42330 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 6/20 0.39

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
SCHEMBL587433 0.95 SMN1; SMN2 (0.44) NOTUMMAPTSMN1; SMN2L3MBTL1SLC6A2
SCHEMBL587444 0.90 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL582155 0.88 RIPK1 (0.47) NOTUMAKR1C3SMN1; SMN2SLC6A2SLC6A4
SCHEMBL581784 0.87 NOTUM (0.44) NOTUMSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL580596 0.87 NOTUM (0.45) NOTUMMAPTSMN1; SMN2
SCHEMBL3072715 0.85 NOTUM (0.49) NOTUMMAPTAKR1C3
SCHEMBL581263 0.85 SLC6A2 (0.41) MAPTSMN1; SMN2SLC6A2
SCHEMBL580914 0.84 SLC6A4 (0.42) SMN1; SMN2SLC6A4
SCHEMBL582132 0.84 NOTUM (0.47) NOTUM
SCHEMBL580676 0.84 FFAR2 (0.41)

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 NOTUM 2559/4885MAPT 4513/4885AKR1C3 136/4885

“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.