SCHEMBL17535844

SCHEMBL17535844

CCOc1cc(-c2c(F)cccc2F)c(C2CC2)cc1CO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.37
CD274 Q9NZQ7 6/20 0.36
GCK P35557 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
RPS6KA2 Q15349 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CDK2 P24941 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM1A O60341 2/20 0.33
PKM P14618 1/20 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
SCHEMBL16616477 0.88 CD274 (0.42) SSTR5CD274GCKL3MBTL1PDK2
SCHEMBL16616104 0.83 SSTR5 (0.41) SSTR5HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL16616309 0.82 SSTR5 (0.49) SSTR5
SCHEMBL16624273 0.82 SSTR5 (0.42) SSTR5KDM1A
SCHEMBL16616037 0.82 SSTR5 (0.42) SSTR5PTGS1PTGS2HTR1ASLC6A2
SCHEMBL16056313 0.80 ALDH1A1 (0.39) GCKPTGS1PTGS2L3MBTL1HCRTR1
SCHEMBL23459324 0.79 SSTR5 (0.41) SSTR5
SCHEMBL16056426 0.78 HTR2A (0.35)
SCHEMBL17535937 0.74 HTR2A (0.39)
SCHEMBL23459216 0.74 SSTR5 (0.39) SSTR5

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 SSTR5 1/4885CD274 2880/4885GCK 1196/4885

“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.