SCHEMBL24755151

SCHEMBL24755151

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(C(=N)NO)c(N(C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SOS1 Q07889 1/20 0.31
▸ MMP2 P08253 2/20 0.31
▸ MMP9 P14780 2/20 0.31
▸ LIPE Q05469 3/20 0.31

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
SCHEMBL24755009 0.82 LIPE (0.35) HDAC3HDAC1HDAC2HDAC6MMP2
SCHEMBL29806705 0.82 LIPE (0.35) HDAC3HDAC1HDAC2HDAC6MMP2
SCHEMBL22932341 0.81 XDH (0.33) LIPE
SCHEMBL24755070 0.76 NQO2 (0.35) —
SCHEMBL29806167 0.76 RXRA (0.33) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22931782 0.76 RXRA (0.33) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22932338 0.74 CNR1 (0.32) HDAC1HDAC6
SCHEMBL22931775 0.69 RXRA (0.32) HDAC3HDAC1HDAC2HDAC6MMP2
SCHEMBL29420832 0.69 RXRA (0.32) HDAC3HDAC1HDAC2HDAC6MMP2
SCHEMBL22932337 0.68 JAK3 (0.41) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER BASILEA PHARM INT AG (CH) 2022-12-22 — — 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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER OXER1, CBR3, CCNY HDAC3 746/4885HDAC1 882/4885HDAC2 1140/4885

“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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