SCHEMBL15280893

SCHEMBL15280893

CC(C)(C)C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)C1OP(O)(=S)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.55
▸ HINT1 P49773 5/20 0.53
▸ FUT5 Q11128 1/20 0.52
▸ TGM2 P21980 1/20 0.51
▸ KRAS P01116 6/20 0.49
▸ GSK3A P49840 2/20 0.48
▸ RPS6KA3 P51812 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ PNP P00491 1/20 0.46
▸ IMPDH2 P12268 2/20 0.46
▸ IMPDH1 P20839 1/20 0.46

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
SCHEMBL22292279 1.00 NT5E (0.55) NT5EHINT1FUT5TGM2KRAS
SCHEMBL15280835 0.93 NT5E (0.57) NT5EHINT1FUT5TGM2KRAS
SCHEMBL22292281 0.93 NT5E (0.57) NT5EHINT1FUT5TGM2KRAS
SCHEMBL15280827 0.91 NT5E (0.48) NT5EHINT1FUT5TGM2KRAS
SCHEMBL19522904 0.91 NT5E (0.56) NT5EHINT1FUT5TGM2KRAS
SCHEMBL19887029 0.91 NT5E (0.48) NT5EHINT1FUT5TGM2KRAS
SCHEMBL22060522 0.91 NT5E (0.48) NT5EHINT1FUT5TGM2KRAS
SCHEMBL19887068 0.88 NT5E (0.48) NT5EHINT1FUT5TGM2KRAS
SCHEMBL15280802 0.88 NT5E (0.48) NT5EHINT1FUT5TGM2KRAS
SCHEMBL22292278 0.87 HINT1 (0.58) NT5EHINT1FUT5TGM2KRAS

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-9803199-B2 Cationic lipid DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-31 — — US disclosed
US-20160257951-A1 NOVEL LIPID DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-08 — — US disclosed
US-8987226-B2 Modified single-stranded polynucleotides DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-24 — — US disclosed
US-20130253038-A1 Modified Single-Stranded Polynucleotide DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-26 — — 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-20160257951-A1 NOVEL LIPID NPC1L1, CETP, LIPC NT5E 963/4885HINT1 2496/4885FUT5 1861/4885

“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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