SCHEMBL17232091

SCHEMBL17232091

C=C1NC(=O)C(C(F)(F)F)=CN1[C@H]1C[C@H](O)[C@@H](COC)O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ TYMS P04818 5/20 0.36
▸ ATG7 O95352 2/20 0.32
▸ DUT P33316 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
SCHEMBL17232106 0.86 LMNA (0.35) LMNASMN1; SMN2TYMS
SCHEMBL17232090 0.84 TK1 (0.35) TYMS
SCHEMBL13169197 0.72 TK1 (0.43) LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL17732550 0.72 LMNA (0.48) LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL15459905 0.72 LMNA (0.48) LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL19749043 0.72 LMNA (0.32) LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL16234376 0.70 TK1 (0.48) LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL15788425 0.68 LMNA (0.76) LMNASMN1; SMN2ALOX12ADRA1ATYMS
SCHEMBL25520885 0.68 LMNA (0.76) LMNASMN1; SMN2ALOX12ADRA1ATYMS
SCHEMBL18744135 0.68 LMNA (0.76) LMNASMN1; SMN2ALOX12ADRA1ATYMS

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-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 — — US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 — — 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-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS DCK, DTYMK, TK1 LMNA 4073/4885SMN1; SMN2 3222/4885ALOX12 1725/4885

“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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