SCHEMBL8512059

SCHEMBL8512059

COC(=O)c1ccc(Br)cc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
SLC6A3 Q01959 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
AR P10275 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HTT P42858 3/20 0.42
KMT2A Q03164 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL8512426 0.87 HSD17B10 (0.52) NR4A2SLC6A3L3MBTL1ARHSD17B10
SCHEMBL5236111 0.86 KMT2A (0.46) NR4A2SLC6A3L3MBTL1HSD17B10ALDH1A1
SCHEMBL21607500 0.85 PTGDR2 (0.47) ARALDH1A1HTTKMT2AIRAK4
SCHEMBL24697376 0.84 GAA (0.46) NR4A2SLC6A3L3MBTL1HSD17B10ALDH1A1
SCHEMBL30014395 0.84 NR4A2 (0.45) NR4A2SLC6A3L3MBTL1HSD17B10ALDH1A1
SCHEMBL23196191 0.84 GAA (0.46) NR4A2SLC6A3L3MBTL1HSD17B10ALDH1A1
SCHEMBL20242123 0.83 ALDH1A1 (0.54) ARHSD17B10ALDH1A1KMT2AIRAK4
SCHEMBL29827082 0.83 NR4A2 (0.51) NR4A2SLC6A3L3MBTL1HSD17B10ALDH1A1
SCHEMBL257244 0.83 NR4A2 (0.51) NR4A2SLC6A3L3MBTL1HSD17B10ALDH1A1
SCHEMBL2772492 0.82 IDO1 (0.51) NR4A2L3MBTL1ALDH1A1HTTKMT2A

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
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US disclosed
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 WO disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 NR4A2 756/4885SLC6A3 143/4885L3MBTL1 4438/4885

“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.