SCHEMBL13633941

SCHEMBL13633941

N#Cc1ncn([C@@H]2O[C@H](C(=O)O)C(OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ GAPDH P04406 1/20 0.33
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ ELANE P08246 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HRAS P01112 1/20 0.31

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
SCHEMBL12150465 1.00 PTPN1 (0.41) PTPN1KMT2AMEN1USP2POLB
SCHEMBL16349579 0.89 KMT2A (0.38) PTPN1KMT2AMEN1USP2POLB
SCHEMBL12150506 0.87 KMT2A (0.37) KMT2AMEN1USP2POLBCA1
SCHEMBL12150509 0.85 POLB (0.44) KMT2AMEN1USP2POLBCA1
SCHEMBL13530678 0.85 POLB (0.44) KMT2AMEN1USP2POLBCA1
SCHEMBL16199376 0.82 PTPN1 (0.42) PTPN1KMT2AMEN1USP2POLB
SCHEMBL12154681 0.82 LMNA (0.43) PTPN1KMT2AMEN1USP2POLB
SCHEMBL12300354 0.81 CA1 (0.42) PTPN1KMT2AMEN1USP2POLB
SCHEMBL16349580 0.80 BCHE (0.42) PTPN1
SCHEMBL14071885 0.80 CA1 (0.36) PTPN1KMT2AMEN1USP2POLB

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-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — 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-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PTPN1 2109/4885KMT2A 3571/4885MEN1 3488/4885

“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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