SCHEMBL18877293

SCHEMBL18877293

Cc1ccn([C@@H]2O[C@@](COC(=O)c3ccccc3)(C(F)(F)F)[C@@H](OC(=O)c3ccccc3)[C@H]2F)c(=O)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ P2RY6 Q15077 2/20 0.33
▸ P2RY14 Q15391 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ RIN1 Q13671 1/20 0.30

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
SCHEMBL18877300 0.89 LMNA (0.39) ALDH1A1POLBNT5ELMNA
SCHEMBL18672098 0.85 POLB (0.39) POLBP2RY6P2RY14NT5EMEN1
SCHEMBL18672099 0.85 POLB (0.39) POLBP2RY6P2RY14NT5EMEN1
SCHEMBL17359828 0.76 ABCB1 (0.40) ABCB1
SCHEMBL25401295 0.76 POLB (0.42) POLBP2RY6P2RY14NT5EMEN1
SCHEMBL17359832 0.75 LMNA (0.36) P2RY6LMNA
SCHEMBL16144609 0.75 PDE4D (0.39) ALDH1A1POLBP2RY6P2RY14NT5E
SCHEMBL18879940 0.75 NT5E (0.40) POLBP2RY6P2RY14NT5EMEN1
SCHEMBL9893398 0.74 POLB (0.53) ALDH1A1POLBP2RY6P2RY14NT5E
SCHEMBL19993735 0.74 LMNA (0.37) ALDH1A1POLBNT5ELMNA

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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — 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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ALDH1A1 2325/4885HTT 1904/4885POLB 441/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ALDH1A1 2125/4885HTT 2324/4885POLB 224/4885

“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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