SCHEMBL6130809

SCHEMBL6130809

CC(C)C(NC(=O)OCc1ccccc1)C(=O)OC1C(CO)OC(n2cnc(C(N)=O)n2)C1OC(=O)C(NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ EIF4E P06730 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TOP1 P11387 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ CTSB P07858 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CAPN1 P07384 3/20 0.40
▸ CASP1 P29466 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38

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
SCHEMBL12892511 0.68 LMNA (0.52) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL12879161 0.67 LMNA (0.54) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL25700089 0.67 CTSL (0.58) LMNACTSBCTSKCTSSCAPN1
SCHEMBL13973861 0.67 ECE1 (0.64) LMNACTSBCTSKCTSSCAPN1
SCHEMBL7331078 0.67 ECE1 (0.64) LMNACTSBCTSKCTSSCAPN1
SCHEMBL7305552 0.67 ECE1 (0.64) LMNACTSBCTSKCTSSCAPN1
SCHEMBL16869653 0.67 CTSL (0.50) CTSBCTSKCTSSCAPN1CASP1
SCHEMBL1908598 0.66 CTSK (0.62) LMNACTSBCTSKCTSSCASP1
SCHEMBL28892051 0.66 TRPM8 (0.62) ALDH1A1CTSBCTSKCTSSCASP1
SCHEMBL10535596 0.66 TRPM8 (0.62) ALDH1A1CTSBCTSKCTSSCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572710-A2 ANTIVIRAL NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 — — EP disclosed
WO-2004052905-A2 ANTIVIRAL NUCLEOSIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 — — WO disclosed
US-20040121969-A1 Antiviral nucleoside derivatives ROCHE PALO ALTO LLC 2004-06-24 — — 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-20040121969-A1 Antiviral nucleoside derivatives IMPDH1, IFNAR1, RNASEH1 LMNA 4294/4885SMN1; SMN2 1510/4885ALDH1A1 403/4885

“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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