SCHEMBL13301603

SCHEMBL13301603

C=C1C=CN([C@H]2C[C@H](O)[C@@H](CC)O2)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TK1 P04183 2/20 0.37
▸ TK2 O00142 1/20 0.37
▸ ALOX12 P18054 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRB1 P08588 1/20 0.32
▸ DNMT1 P26358 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL16125237 0.83 TYMS (0.34) LMNASMN1; SMN2
SCHEMBL13301604 0.83 TK1 (0.34) TK1
SCHEMBL27064734 0.76 LMNA (0.43) LMNASMN1; SMN2TK1TK2ALOX12
SCHEMBL13301602 0.76 CDA (0.33) —
SCHEMBL18273921 0.73 CDA (0.30) —
SCHEMBL18273920 0.73 — —
SCHEMBL27056501 0.71 LMNA (0.36) LMNASMN1; SMN2TK1TK2ALOX12
SCHEMBL25505283 0.70 TK1 (0.37) LMNASMN1; SMN2TK1TK2ALOX12
SCHEMBL27102544 0.70 LMNA (0.34) LMNASMN1; SMN2TK1TK2
SCHEMBL27102578 0.70 LMNA (0.34) LMNASMN1; SMN2TK1TK2

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-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 — — 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-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF CSGALNACT1, ST3GAL3, FUT6 LMNA 2720/4885SMN1; SMN2 4808/4885TK1 707/4885

“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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