SCHEMBL581784

SCHEMBL581784

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A3 Q01959 5/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR2 O15552 1/20 0.38
GRM5 P41594 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CACNA1H O95180 1/20 0.38
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 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
SCHEMBL587349 0.95 MMP1 (0.41) NOTUMSLC6A3SLC6A2SLC6A4
SCHEMBL587352 0.90 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL582155 0.88 RIPK1 (0.47) NOTUMSLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL581832 0.87 NOTUM (0.44) NOTUMSLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL582132 0.86 NOTUM (0.47) NOTUMTDP1ALDH1A1HSD11B1
SCHEMBL580676 0.86 FFAR2 (0.41) FFAR2ALDH1A1
SCHEMBL30754986 0.85 NOTUM (0.47) NOTUMALDH1A1HSD11B1CACNA1H
SCHEMBL581665 0.85 NOTUM (0.49) NOTUMFFAR2ALDH1A1HSD11B1THRB
SCHEMBL581263 0.85 SLC6A2 (0.41) SLC6A2TDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL580914 0.84 SLC6A4 (0.42) SLC6A4PKMALDH1A1LMNASMN1; SMN2

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 2559/4885CYP2D6 78/4885CYP2C19 966/4885

“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.