SCHEMBL3698732

SCHEMBL3698732

COC(=O)[C@]1(O)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 2/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL24418659 1.00 NANP (0.33) NANPTDP1
SCHEMBL12455852 1.00 NANP (0.33) NANPTDP1
SCHEMBL29258956 1.00 NANP (0.33) NANPTDP1
SCHEMBL30946516 1.00 NANP (0.33) NANPTDP1
SCHEMBL19249317 1.00 NANP (0.33) NANPTDP1
SCHEMBL10694394 0.93 NANP (0.32) NANPTDP1
SCHEMBL14280203 0.92 NANP (0.41) NANPTDP1
SCHEMBL6046371 0.92 NANP (0.41) NANPTDP1
SCHEMBL30472869 0.92 NANP (0.41) NANPTDP1
SCHEMBL27240188 0.92 NANP (0.41) NANPTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140087369-A1 INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2014-03-27 — — US disclosed
WO-2012065054-A1 INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-05-18 — — WO disclosed
US-20120121511-A1 INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS LOS ALAMOS NATIONAL SECURITY, LLC 2012-05-17 — — US disclosed
US-20120122079-A1 INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS LOS ALAMOS NATIONAL SECURITY, LLC 2012-05-17 — — 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 (2 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-20120121511-A1 INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS SI, GLA, ENGASE NANP 254/4885TDP1 2910/4885
US-20120122079-A1 INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS SI, CA14, CA4 NANP 403/4885TDP1 3973/4885

“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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