SCHEMBL8444142

SCHEMBL8444142

COC(=O)C1CC(O)=NO1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.58
▸ HTT P42858 1/20 0.50
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL20645838 0.77 MIF (0.50) MIFHTTCYP1A2CYP2D6CYP3A4
SCHEMBL20640947 0.77 MIF (0.50) MIFHTTCYP1A2CYP2D6CYP3A4
SCHEMBL20640929 0.77 MIF (0.50) MIFHTTCYP1A2CYP2D6CYP3A4
SCHEMBL12556064 0.74 MIF (1.00) MIFHTTCYP1A2CYP2D6CYP3A4
SCHEMBL22861383 0.74 MIF (1.00) MIFHTTCYP1A2CYP2D6CYP3A4
SCHEMBL20645845 0.74 MIF (0.48) MIFHTTCYP1A2CYP2D6CYP2C19
SCHEMBL27550992 0.73 MIF (0.47) MIFHTTCYP1A2CYP2D6CYP3A4
SCHEMBL20640544 0.73 MIF (0.50) MIFHTTCYP1A2CYP2D6CYP3A4
SCHEMBL27433856 0.73 MIF (0.47) MIFHTTCYP1A2CYP3A4CYP2C19
SCHEMBL10757347 0.72 MIF (0.46) MIFHTTHDAC6

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-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 — — US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 — — 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-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP MIF 4307/4885HTT 640/4885CYP1A2 1212/4885

“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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