SCHEMBL580970

SCHEMBL580970

COC(=O)N1CCC(C(=O)O)CC1CCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
BTK Q06187 1/20 0.36
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.31
NEK2 P51955 1/20 0.30

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
SCHEMBL581911 0.86 LMNA (0.38) LMNABTKHSD17B10SMN1; SMN2TSHR
SCHEMBL587241 0.82 GAA (0.34) TSHRALDH1A1
SCHEMBL581442 0.82 GAA (0.34) TSHRALDH1A1
SCHEMBL3069770 0.82 GAA (0.34) TSHRALDH1A1
SCHEMBL587611 0.81
SCHEMBL3081055 0.81 NR1H2 (0.34) TSHR
SCHEMBL580419 0.78 RAB9A (0.37) LMNABTKHSD17B10SMN1; SMN2TSHR
SCHEMBL581537 0.77 POLB (0.46) HSD17B10SMN1; SMN2TSHRALDH1A1
SCHEMBL581808 0.76 ALDH1A1 (0.39) BTKHSD17B10SMN1; SMN2TSHRALDH1A1
SCHEMBL581880 0.75 NPC1 (0.38) HSD17B10SMN1; SMN2ALDH1A1

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 5 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
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 LMNA 3853/4885BTK 1749/4885HSD17B10 1391/4885

“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.