SCHEMBL12150506

SCHEMBL12150506

CC1O[C@@H](n2cnc(C#N)n2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GAPDH P04406 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HRAS P01112 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
▸ BCHE P06276 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
SCHEMBL16349579 0.89 KMT2A (0.38) KMT2AMEN1USP2POLBCA1
SCHEMBL13633941 0.87 PTPN1 (0.41) KMT2AMEN1USP2POLBCA1
SCHEMBL12150465 0.87 PTPN1 (0.41) KMT2AMEN1USP2POLBCA1
SCHEMBL13530678 0.85 POLB (0.44) KMT2AMEN1USP2POLBCA1
SCHEMBL12150509 0.85 POLB (0.44) KMT2AMEN1USP2POLBCA1
SCHEMBL14036675 0.84 LMNA (0.34) CA1CA2CA9MAPTALDH1A1
SCHEMBL12300354 0.83 CA1 (0.42) KMT2AMEN1USP2POLBCA1
SCHEMBL12746702 0.82 CA1 (0.37) KMT2AMEN1USP2POLBCA1
SCHEMBL14071885 0.82 CA1 (0.36) KMT2AMEN1USP2POLBCA1
SCHEMBL12300346 0.82 LMNA (0.43) KMT2AMEN1USP2POLBCA1

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 10 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-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — 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 (5 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 KMT2A 3571/4885MEN1 3488/4885USP2 3392/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 KMT2A 3252/4885MEN1 1726/4885USP2 4841/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP KMT2A 3571/4885MEN1 3488/4885USP2 3392/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP KMT2A 3571/4885MEN1 3488/4885USP2 3392/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN KMT2A 2630/4885MEN1 914/4885USP2 4370/4885

“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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