SCHEMBL13117632

SCHEMBL13117632

CC(=O)OCCOc1cccc(-c2cccc(CO)c2C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 4/20 0.45
▸ CD274 Q9NZQ7 4/20 0.45
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ RAD52 P43351 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13213459 0.86 TDP1 (0.36) PDCD1CD274TDP1THRBRAD52
SCHEMBL2907137 0.83 CD274 (0.38) PDCD1CD274CYP4F2CYP4A11S1PR1
SCHEMBL13117624 0.83 CD274 (0.40) PDCD1CD274CYP4F2CYP4A11RAD52
SCHEMBL13117549 0.83 CD274 (0.57) PDCD1CD274KDM4EALDH1A1SMN1; SMN2
SCHEMBL13117620 0.80 ALDH1A1 (0.47) PDCD1CD274TDP1THRBRAD52
SCHEMBL13117746 0.79 FFAR1 (0.43) PDCD1CD274ALDH1A1PPARGPPARD
SCHEMBL13117445 0.79 KDM4E (0.46) PDCD1CD274TDP1THRBKDM4E
SCHEMBL30335600 0.79 CD274 (0.49) PDCD1CD274CYP4F2CYP4A11KDM4E
SCHEMBL21359629 0.79 CD274 (0.49) PDCD1CD274CYP4F2CYP4A11KDM4E
SCHEMBL13117630 0.78 CD274 (0.38) PDCD1CD274CYP4F2CYP4A11RAD52

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 PDCD1 1246/4885CD274 1333/4885CYP4F2 4442/4885

“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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