SCHEMBL18512754

SCHEMBL18512754

CCCCOC(=O)[C@@H](C)NP1(=O)OC[C@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 3/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ENTPD2 Q9Y5L3 2/20 0.34
▸ P2RY2 P41231 1/20 0.33
▸ P2RY4 P51582 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33

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
SCHEMBL17198781 0.85 SLC28A1 (0.39) ENTPD2P2RY2P2RY4STING1
SCHEMBL17198789 0.85 SLC28A1 (0.39) ENTPD2P2RY2P2RY4STING1
SCHEMBL17198782 0.85 SLC28A1 (0.39) ENTPD2P2RY2P2RY4STING1
SCHEMBL17198784 0.85 SLC28A1 (0.39) ENTPD2P2RY2P2RY4STING1
SCHEMBL17198411 0.85 SLC28A1 (0.39) ENTPD2P2RY2P2RY4STING1
SCHEMBL17198783 0.85 SLC28A1 (0.39) ENTPD2P2RY2P2RY4STING1
SCHEMBL17198774 0.85 SLC28A1 (0.39) ENTPD2P2RY2P2RY4STING1
SCHEMBL25414625 0.81 DHFR (0.39) DUTCYP3A4CYP2C9MEN1KMT2A
SCHEMBL31614593 0.81 DHFR (0.39) DUTCYP3A4CYP2C9MEN1KMT2A
SCHEMBL18512695 0.76 P2RY12 (0.36) P2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 — — US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 — — 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 DUT 208/4885CYP3A4 3319/4885CYP2C9 3771/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 DUT 201/4885CYP3A4 3291/4885CYP2C9 3724/4885

“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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