SCHEMBL22393430

SCHEMBL22393430

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@@H]1CC[C@H](c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ BTN3A1 O00481 6/20 0.42
▸ RIPK1 Q13546 2/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34

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
SCHEMBL22393558 1.00 CYP3A4 (0.44) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL23047641 0.93 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL22392915 0.91 BTN3A1 (0.37) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL24058364 0.91 CYP3A4 (0.36) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL22355553 0.90 CYP3A4 (0.36) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL22393557 0.90 CYP3A4 (0.36) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL22355532 0.89 BTN3A1 (0.34) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL23047652 0.88 RIPK1 (0.33) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL26294375 0.87 CYP3A4 (0.34) CYP3A4CYP2C9BTN3A1RIPK1DOT1L
SCHEMBL16769314 0.85 CYP3A4 (0.49) CYP3A4CYP2C9BTN3A1

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-11149049-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2021-10-19 — — US disclosed
US-20200277321-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF Janssen Pharmaceuticals, Inc. 2020-09-03 — — 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-20200277321-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF PNP, RNGTT, NT5C3B CYP3A4 573/4885CYP2C9 401/4885BTN3A1 4231/4885
US-11149049-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, TYMP, SLC29A1 CYP3A4 600/4885CYP2C9 483/4885BTN3A1 4290/4885

“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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