SCHEMBL581906

SCHEMBL581906

COC(=O)N1CCC(C(=O)O)CC1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.37
DPP4 P27487 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAPT P10636 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
SCHEMBL587215 0.96 ALDH1A1 (0.42) NOTUMPKMALDH1A1KDM4ESMN1; SMN2
SCHEMBL586962 0.91 ALDH1A1 (0.42) PKMALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL580897 0.87 SMN1; SMN2 (0.39) NOTUMALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL580959 0.87 NOTUM (0.45) NOTUMPKMALDH1A1KDM4ESIGMAR1
SCHEMBL581500 0.87 DPP4 (0.43) NOTUMALDH1A1SMN1; SMN2SIGMAR1DPP4
SCHEMBL582105 0.87 ALDH1A1 (0.45) NOTUMPKMALDH1A1SIGMAR1DPP4
SCHEMBL581930 0.86 KDM4E (0.46) NOTUMALDH1A1KDM4ENPSR1POLB
SCHEMBL580852 0.84 PSEN1 (0.49) ALDH1A1SMN1; SMN2NPSR1POLBNPC1
SCHEMBL581773 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPK1
SCHEMBL582199 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPK1

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 2559/4885PKM 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.