SCHEMBL13117758

SCHEMBL13117758

Cc1c(COc2ccc(C=O)cc2)cccc1-c1ccc(OCCO)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.41
▸ CD274 Q9NZQ7 15/20 0.40
▸ PDCD1 Q15116 5/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38

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
SCHEMBL2021818 0.82 FFAR1 (0.41) CD274PDCD1HDAC6ALDH1A1HDAC1
SCHEMBL13117755 0.81 CD274 (0.42) CD274PDCD1
SCHEMBL12578210 0.79 FFAR1 (0.39) CD274PDCD1HDAC6ALDH1A1MAOA
SCHEMBL13117745 0.79 CD274 (0.42) CD274PDCD1
SCHEMBL13117734 0.78 CD274 (0.42) CD274PDCD1
SCHEMBL13117856 0.78 FFAR1 (0.63) CMA1CD274
SCHEMBL12578348 0.78 FFAR1 (0.39) CD274PDCD1HDAC6ALDH1A1MAOA
SCHEMBL12578475 0.77 CD274 (0.41) CD274PDCD1HDAC6HDAC1
SCHEMBL12578332 0.77 FFAR1 (0.41) CD274PDCD1HDAC6ALDH1A1
SCHEMBL12578476 0.77 CD274 (0.39) CD274ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 — — US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 — — 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-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 CMA1 2776/4885CD274 1333/4885PDCD1 1246/4885

“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.

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