SCHEMBL12746702

SCHEMBL12746702

C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](n2cnc(C#N)n2)O[C@@H]1CP(C)(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ P2RX3 P56373 2/20 0.37
▸ P2RX4 Q99571 2/20 0.37
▸ P2RX2 Q9UBL9 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ P2RY11 Q96G91 2/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ GAPDH P04406 2/20 0.34
▸ P2RX6 O15547 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ P2RX5 Q93086 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HRAS P01112 1/20 0.33
▸ LGALS9 O00182 1/20 0.32

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
SCHEMBL12300354 0.93 CA1 (0.42) CA1CA2CA9P2RX3P2RX4
SCHEMBL12150462 0.86 CA1 (0.33) CA1CA2CA9P2RX3P2RX4
SCHEMBL12746699 0.85 LMNA (0.44) CA1CA2CA9P2RX3P2RX4
SCHEMBL14071885 0.82 CA1 (0.36) CA1CA2CA9P2RX3P2RX4
SCHEMBL12150509 0.82 POLB (0.44) CA1CA2CA9P2RX3P2RX4
SCHEMBL13530678 0.82 POLB (0.44) CA1CA2CA9P2RX3P2RX4
SCHEMBL12150506 0.82 KMT2A (0.37) CA1CA2CA9P2RX3P2RX4
SCHEMBL16349579 0.80 KMT2A (0.38) CA1CA2CA9P2RX3P2RX4
SCHEMBL12150465 0.78 PTPN1 (0.41) CA1CA2CA9P2RX3P2RX4
SCHEMBL13633941 0.78 PTPN1 (0.41) CA1CA2CA9P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 — — 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP CA1 4501/4885CA2 3997/4885CA9 3440/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 CA1 3855/4885CA2 3759/4885CA9 2614/4885

“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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