SCHEMBL17535871

SCHEMBL17535871

CCOc1cc(-c2ccc(F)cc2F)ccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
FFAR4 Q5NUL3 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DHFR P00374 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
HMGB1 P09429 1/20 0.45
HPGD P15428 1/20 0.45
CXCL12 P48061 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45

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
SCHEMBL16056207 0.87 TDP1 (0.53) TDP1SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL16616127 0.85 TDP1 (0.57) TDP1FFAR4SLC6A4SLC6A3KDM4E
SCHEMBL25794823 0.85 TDP1 (0.62) TDP1FFAR4SLC6A4SLC6A3KDM4E
SCHEMBL16616100 0.85 FFAR4 (0.59) TDP1FFAR4SLC6A4SLC6A3KDM4E
SCHEMBL16616086 0.82 SLC6A4 (0.47) FFAR4SLC6A4SLC6A3KDM4EMEN1
SCHEMBL16624260 0.82 TDP1 (0.56) TDP1FFAR4SLC6A4SLC6A3KDM4E
SCHEMBL16055062 0.81 MAPT (0.44) TDP1FFAR4SLC6A4SLC6A3KDM4E
SCHEMBL16055165 0.80 TDP1 (0.53) TDP1FFAR4SLC6A4SLC6A3MEN1
SCHEMBL19320833 0.80 TTR (0.60) FFAR4KDM4EMEN1KMT2AUSP2
SCHEMBL23540246 0.79 KDM4E (0.51) SLC6A4SLC6A3KDM4EMEN1KMT2A

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 TDP1 4572/4885FFAR4 595/4885SLC6A4 88/4885

“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.