SCHEMBL10040702

SCHEMBL10040702

O=CC1NC(=O)NC(=O)C1F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.33
RGS12 O14924 1/20 0.31
BACE1 P56817 1/20 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
SCHEMBL11385091 0.74 TSHR (0.46) TSHRTDP1RGS12BACE1
SCHEMBL11390371 0.68 TSHR (0.41) TSHRTDP1RGS12BACE1
SCHEMBL1727964 0.67
Water SCHEMBL11036981 0.67 TSHR (0.39) TSHRTDP1RGS12BACE1
SCHEMBL8148062 0.64 IDUA (0.39) TSHRTDP1RGS12
SCHEMBL11771126 0.64 TSHR (0.41) TSHRTDP1
SCHEMBL11816855 0.64 TSHR (0.41) TSHRTDP1
SCHEMBL2064740 0.62 TSHR (0.39) TSHRTDP1RGS12BACE1
SCHEMBL1653842 0.61 TSHR (0.36) TSHR
SCHEMBL11283221 0.61

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-20120029021-A1 Nitroxide Free Radical Synergized Antineoplastic Agents THE TRUSTEES OF CALIFORNIA STATE UNIVERSITY (US) 2012-02-02 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-20120029021-A1 Nitroxide Free Radical Synergized Antineoplastic Agents NOX1, NQO1, TXNRD2 TSHR 3708/4885TDP1 239/4885RGS12 2631/4885

“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.