SCHEMBL14010232

SCHEMBL14010232

Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(F)c4c(Cl)ncnc43)[C@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 2/20 0.44
▸ HRAS P01112 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ADK P55263 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ YES1 P07947 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39

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
SCHEMBL30536338 0.91 MEN1 (0.49) GAPDHHRASMEN1USP2POLB
SCHEMBL20214417 0.91 MEN1 (0.49) GAPDHHRASMEN1USP2POLB
SCHEMBL10131159 0.91 MEN1 (0.49) GAPDHHRASMEN1USP2POLB
SCHEMBL10160533 0.91 MEN1 (0.49) GAPDHHRASMEN1USP2POLB
SCHEMBL14644475 0.86 MEN1 (0.45) GAPDHHRASMEN1USP2POLB
SCHEMBL23228246 0.85 LMNA (0.47) GAPDHHRASMEN1USP2POLB
SCHEMBL17106751 0.83 UPP1 (0.43) POLBADKLMNAABL1YES1
SCHEMBL17106754 0.83 UPP1 (0.43) POLBADKLMNAABL1YES1
SCHEMBL17106753 0.83 UPP1 (0.43) POLBADKLMNAABL1YES1
SCHEMBL10160766 0.82 MEN1 (0.51) GAPDHHRASMEN1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280842-A1 Fluorinated Pyrrolo[2,3-D]Pyrimidine Nucleosides for the Treatment of Rna-Dependent Rna Viral Infection MERCK & CO., INC. (US) 2008-11-13 — — 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 (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-20080280842-A1 Fluorinated Pyrrolo[2,3-D]Pyrimidine Nucleosides for the Treatment of Rna-Dependent Rna Viral Infection NSUN2, DUT, EFTUD2 GAPDH 2540/4885HRAS 4081/4885MEN1 4876/4885

“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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