SCHEMBL6128016

SCHEMBL6128016

C=CCC/C=C/COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 3/20 0.51
▸ SELL P14151 1/20 0.46
▸ SELP P16109 1/20 0.46
▸ SIGLEC7 Q9Y286 5/20 0.44
▸ CD22 P20273 2/20 0.44
▸ MAG P20916 3/20 0.42

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
SCHEMBL1204652 0.91 NANP (0.56) NANPSELLSELPSIGLEC7CD22
SCHEMBL6124964 0.86 L3MBTL1 (0.39) NANPSELLSELPSIGLEC7CD22
SCHEMBL17300145 0.83 NANP (0.60) NANPSELLSELPSIGLEC7CD22
SCHEMBL29226229 0.83 NANP (0.60) NANPSELLSELPSIGLEC7CD22
SCHEMBL18357290 0.82 NANP (0.58) NANPSELLSELPSIGLEC7CD22
SCHEMBL16839997 0.82 NANP (0.58) NANPSELLSELPSIGLEC7CD22
SCHEMBL15087687 0.82 NANP (0.58) NANPSELLSELPSIGLEC7CD22
SCHEMBL18083879 0.81 CD22 (0.56) NANPSELLSELPSIGLEC7CD22
SCHEMBL15090247 0.81 CD22 (0.56) NANPSELLSELPSIGLEC7CD22
SCHEMBL17715151 0.81 CD22 (0.56) NANPSELLSELPSIGLEC7CD22

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-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 254/4885SELL 1211/4885SELP 1153/4885
US-20120122079-A1 INFECTION DETECTION METHODS AND SYSTEMS AND RELATED COMPOUNDS AND COMPOSITIONS SI, CA14, CA4 NANP 403/4885SELL 3382/4885SELP 3329/4885

“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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