SCHEMBL582162

SCHEMBL582162

COC(=O)N1CCC(C(=O)O)CC1Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
TACR1 P25103 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1G O43497 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL586767 0.91 ALDH1A1 (0.43) KMT2ASIGMAR1CACNA1GALDH1A1MAPT
SCHEMBL586704 0.90 KMT2A (0.39) KMT2ABRD4CREBBPTACR1SMN1; SMN2
SCHEMBL586703 0.90 KMT2A (0.39) KMT2ABRD4CREBBPTACR1SMN1; SMN2
SCHEMBL581731 0.89 PSEN1 (0.36) BRD4CREBBPSIGMAR1TACR1NPC1
SCHEMBL581780 0.88 SIGMAR1 (0.41) KMT2ASIGMAR1TACR1ALDH1A1HPGD
SCHEMBL580852 0.87 PSEN1 (0.49) TACR1NPC1RAB9ASMN1; SMN2PSEN1
SCHEMBL580834 0.86 NOTUM (0.41) KMT2ABRD4CREBBPSMN1; SMN2PSEN1
SCHEMBL581110 0.86 TACR1 (0.48) KMT2ASIGMAR1TACR1
SCHEMBL581092 0.86 ALDH1A1 (0.44) BRD4CREBBPSIGMAR1RAB9AALDH1A1
SCHEMBL582368 0.85 KMT2A (0.41) KMT2ACACNA1GALDH1A1MAPTPOLB

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 KMT2A 3820/4885BRD4 208/4885CREBBP 2823/4885

“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.