SCHEMBL9002102

SCHEMBL9002102

O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ GAPDH P04406 2/20 0.51
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ RNASE1 P07998 1/20 0.44
▸ P2RY6 Q15077 2/20 0.43
▸ P2RY14 Q15391 2/20 0.43
▸ NT5E P21589 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HBB P68871 1/20 0.41

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
SCHEMBL5080725 1.00 MEN1 (0.61) MEN1USP2POLBKMT2AGAPDH
SCHEMBL9002093 1.00 MEN1 (0.61) MEN1USP2POLBKMT2AGAPDH
SCHEMBL20983914 1.00 MEN1 (0.61) MEN1USP2POLBKMT2AGAPDH
SCHEMBL7942376 1.00 MEN1 (0.61) MEN1USP2POLBKMT2AGAPDH
SCHEMBL5717456 0.95 MEN1 (0.59) MEN1USP2POLBKMT2AGAPDH
SCHEMBL5717451 0.95 MEN1 (0.59) MEN1USP2POLBKMT2AGAPDH
SCHEMBL9137347 0.94 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH
SCHEMBL25399138 0.92 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH
SCHEMBL5717506 0.92 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH
SCHEMBL5717501 0.92 MEN1 (0.55) MEN1USP2POLBKMT2AGAPDH

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-10711029-B2 Beta-d-2′-deoxy-2′-alpha-fluoro-2′-beta-c-substituted-4′fluoro-n6-substituted-6-amino-2-substituted purine nucleotides for the treatment of hepatitis c virus infection Atea Pharmaceuticals, Inc. (US) 2020-07-14 — — US disclosed
US-20190153017-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-4'-FLUORO-N6-SUBSTITUTED-6-AMINO-2-SUBSTITUTED PURINE NUCLEOTIDES FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTION Atea Pharmaceuticals, Inc. (US) 2019-05-23 — — US disclosed
WO-2009058800-A2 SYNTHESIS OF NUCLEOSIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-05-07 — — WO disclosed
US-5559101-A ANTITUMOR, ANTICARCINOGENIC, HIV GENENCOR INTERNATIONAL, INC. (US) 1996-09-24 — — 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 (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-20190153017-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-4'-FLUORO-N6-SUBSTITUTED-6-AMINO-2-SUBSTITUTED PURINE NUCLEOTIDES FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTION PNP, SLC29A2, NT5C2 MEN1 4753/4885USP2 3018/4885POLB 262/4885
US-10711029-B2 Beta-d-2′-deoxy-2′-alpha-fluoro-2′-beta-c-substituted-4′fluoro-n6-substituted-6-amino-2-substituted purine nucleotides for the treatment of hepatitis c virus infection PNP, SLC29A2, NT5C2 MEN1 4779/4885USP2 3085/4885POLB 337/4885

“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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