SCHEMBL17535564

SCHEMBL17535564

COCCOc1cc(-c2ccc(F)cc2)c(C2CC2)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
SQOR Q9Y6N5 1/20 0.36
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SSTR5 P35346 2/20 0.35
AR P10275 2/20 0.34
ADRB2 P07550 1/20 0.34
FFAR2 O15552 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ERN1 O75460 1/20 0.33
HDAC2 Q92769 1/20 0.33
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL16056271 0.90 ALDH1A1 (0.42) ALDH1A1MAPTPTGDRPTGDR2SSTR5
SCHEMBL17535422 0.90 ALDH1A1 (0.42) ALDH1A1MAPTPTGDRPTGDR2SSTR5
SCHEMBL16055474 0.87 SSTR5 (0.42) ALDH1A1MAPTPTGDRPTGDR2HTT
SCHEMBL16054923 0.86 ERN1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2SSTR5
SCHEMBL18832616 0.83 CNR2 (0.38) ALDH1A1MAPTPTGDRPTGDR2
SCHEMBL16055039 0.81 ERN1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2SSTR5
SCHEMBL16056132 0.80 SSTR5 (0.42) ALDH1A1MAPTPTGDRPTGDR2SSTR5
SCHEMBL16624206 0.80 SSTR5 (0.36) ALDH1A1MAPTPTGDRPTGDR2HTT
SCHEMBL16055600 0.77 PTGS2 (0.37) ALDH1A1MAPTPTGDRPTGDR2KDM4E
SCHEMBL16056646 0.77 FDPS (0.39) ALDH1A1MAPTPTGDRPTGDR2HPGD

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 ALDH1A1 2449/4885MAPT 3594/4885SQOR 3217/4885

“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.