SCHEMBL581337

SCHEMBL581337

COC(=O)N1CCC(C(=O)O)CC1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.35
BTK Q06187 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32

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
SCHEMBL582187 0.88 SMN1; SMN2 (0.48) SMN1; SMN2POLBTSHRHSD17B10ALDH1A1
SCHEMBL581000 0.83 POLB (0.36) SMN1; SMN2POLBTSHRNPC1RAB9A
SCHEMBL581569 0.79 ALDH1A1 (0.39) POLBTSHRALDH1A1GAA
SCHEMBL587178 0.79 ALDH1A1 (0.39) POLBTSHRALDH1A1GAA
SCHEMBL581808 0.79 ALDH1A1 (0.39) SMN1; SMN2POLBBTKTSHRHSD17B10
SCHEMBL582094 0.77 HCRTR2 (0.38) SMN1; SMN2
SCHEMBL582099 0.76 TSHR (0.48) SMN1; SMN2BTKTSHRNPC1RAB9A
SCHEMBL30477417 0.76 DPP7 (0.46) SMN1; SMN2POLBTSHRNPC1RAB9A
SCHEMBL586648 0.73 SMN1; SMN2 (0.39) SMN1; SMN2POLBHSD17B10ALDH1A1TP53
SCHEMBL14247326 0.73 NPC1 (0.43) SMN1; SMN2POLBTSHRNPC1RAB9A

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 SMN1; SMN2 2619/4885POLB 4067/4885BTK 1749/4885

“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.