SCHEMBL17535656

SCHEMBL17535656

COC(=O)c1cc(C2CC2)c(C2CC2)c(Cl)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.38
PDK4 Q16654 2/20 0.38
SLC6A3 Q01959 8/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
SLC6A4 P31645 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL16055515 0.84 TAS1R3 (0.39) PDK2PDK4SLC6A3LMNAPOLB
SCHEMBL17535473 0.80 PTGDR2 (0.35) PDK2PDK4SLC6A3LMNAPOLB
SCHEMBL16056254 0.80 TDP1 (0.35) PDK2PDK4SLC6A3LMNAPOLB
SCHEMBL17535817 0.77 SLC6A3 (0.44) PDK2PDK4SLC6A3SMN1; SMN2SLC6A4
SCHEMBL16055337 0.74 CA12 (0.49) PDK2PDK4SLC6A3LMNAPOLB
SCHEMBL16616031 0.74 ALPL (0.40) PDK2SLC6A3SLC6A4MAPTATM
SCHEMBL21434779 0.74 PDK2 (0.48) PDK2PDK4SLC6A3LMNAPOLB
SCHEMBL30689803 0.73 GAA (0.45) PDK2PDK4SLC6A3LMNAPOLB
SCHEMBL27201936 0.73 GAA (0.45) PDK2PDK4SLC6A3LMNAPOLB
SCHEMBL31502284 0.72 PDK2 (0.40) PDK2PDK4SLC6A3LMNAPOLB

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 3 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

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 PDK2 2401/4885PDK4 2991/4885SLC6A3 143/4885

“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.