SCHEMBL6284272

SCHEMBL6284272

O=c1nc(NC2OC(CO)C(O)C(O)C2O)cc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
GSK3B P49841 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8951933 1.00 TSHR (0.48) TSHRCA1CA2GSK3BNPC1
SCHEMBL7528649 1.00 TSHR (0.48) TSHRCA1CA2GSK3BNPC1
SCHEMBL4278638 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1
SCHEMBL11289015 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1
SCHEMBL788634 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1
SCHEMBL7030562 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1
SCHEMBL319584 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1
SCHEMBL4704343 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1
SCHEMBL7198908 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1
SCHEMBL38256 0.99 TSHR (0.46) TSHRCA1CA2GSK3BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933288-B2 Pyranosyl cytosines: pharmaceutical formulations and methods ISIS PHARMACEUTICALS, INC. 2005-08-23 US disclosed
US-6933288-B2 Pyranosyl cytosines: pharmaceutical formulations and methods ISIS PHARMACEUTICALS, INC. 2005-08-23 US disclosed
US-20030216575-A1 Novel pyranosyl cytosines: pharmaceutical formulations and methods ISIS PHARMACEUTICALS, INC. 2003-11-20 US disclosed
US-20030216575-A1 Novel pyranosyl cytosines: pharmaceutical formulations and methods ISIS PHARMACEUTICALS, INC. 2003-11-20 US disclosed
WO-2003066633-A1 NOVEL PYRANOSYL CYTOSINES: PHARMACEUTICAL FORMULATIONS AND METHODS ISIS PHARMACEUTICALS, INC. (US) 2003-08-14 WO disclosed
WO-2003066633-A1 NOVEL PYRANOSYL CYTOSINES: PHARMACEUTICAL FORMULATIONS AND METHODS ISIS PHARMACEUTICALS, INC. (US) 2003-08-14 WO 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-20030216575-A1 Novel pyranosyl cytosines: pharmaceutical formulations and methods RNGTT, NOP2, RNMT TSHR 4596/4885CA1 4734/4885CA2 4639/4885

“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.