SCHEMBL13899230

SCHEMBL13899230

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.57
▸ NT5E P21589 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ FUT5 Q11128 1/20 0.47
▸ PNP P00491 1/20 0.47
▸ STING1 Q86WV6 2/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL14003429 1.00 HINT1 (0.57) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL12740468 0.91 HINT1 (0.55) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL19884479 0.91 HINT1 (0.66) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL16375317 0.90 HINT1 (0.55) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL26268365 0.90 HINT1 (0.55) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL19035716 0.90 HPGD (0.61) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL25605693 0.88 HINT1 (0.55) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL19035717 0.88 HINT1 (0.52) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL14929063 0.87 HINT1 (0.54) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL14946245 0.87 HINT1 (0.54) HINT1NT5EHPGDGSK3ARPS6KA3

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-7501504-B2 Detectable labeled nucleoside analogs and methods of use thereof ROCHE MOLECULAR SYSTEMS, INC. (US) 2009-03-10 — — US disclosed
US-7456266-B2 Detectable labeled nucleoside analogs and methods of use thereof ROCHE MOLECULAR SYSTEMS, INC. (US) 2008-11-25 — — US disclosed
US-20070208169-A1 DETECTABLE LABELED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF ROCHE MOLECULAR SYSTEMS, INC. (US) 2007-09-06 — — US disclosed
US-20070202576-A1 DETECTABLE LABELED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF ROCHE MOLECULAR SYSTEMS, INC. (US) 2007-08-30 — — 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-20070202576-A1 DETECTABLE LABELED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF SAMHD1, NUDT1, DUT HINT1 287/4885NT5E 27/4885HPGD 1036/4885
US-20070208169-A1 DETECTABLE LABELED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF SAMHD1, NUDT1, DUT HINT1 287/4885NT5E 27/4885HPGD 1036/4885

“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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