SCHEMBL6760115

SCHEMBL6760115

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCN(C)C(=O)N1C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ KCNJ1 P48048 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PTPN1 P18031 2/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 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
SCHEMBL2843889 1.00 POLB (0.37) POLBSMN1; SMN2KCNJ1KCNH2ALDH1A1
SCHEMBL2843887 1.00 POLB (0.37) POLBSMN1; SMN2KCNJ1KCNH2ALDH1A1
SCHEMBL8238400 1.00 POLB (0.37) POLBSMN1; SMN2KCNJ1KCNH2ALDH1A1
SCHEMBL14020643 0.98 POLB (0.38) POLBSMN1; SMN2KCNJ1KCNH2ALDH1A1
SCHEMBL16628787 0.91 POLB (0.40) POLBSMN1; SMN2ALDH1A1MAPTPTPN1
SCHEMBL16628788 0.91 POLB (0.40) POLBSMN1; SMN2ALDH1A1MAPTPTPN1
SCHEMBL8253707 0.90 ADRB3 (0.32) ALDH1A1ADRB3ADRA2BADRA2C
SCHEMBL12730845 0.87 SMN1; SMN2 (0.37) POLBSMN1; SMN2KCNJ1KCNH2ALDH1A1
SCHEMBL994827 0.87 KCNJ1 (0.33) POLBSMN1; SMN2KCNJ1KCNH2ALDH1A1
SCHEMBL994824 0.87 KCNJ1 (0.33) POLBSMN1; SMN2KCNJ1KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 — — US disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 — — US disclosed
US-8754116-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2014-06-17 — — US disclosed
US-8183277-B2 Inhibitors of HCV replication of formula (I)** Image-1whereinW is a heterocycle of formula** Image-2and the remaining variables are as defined in the specification. TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-05-22 — — US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 — — US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 — — US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 — — US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 — — US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — US disclosed
US-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-10-23 — — US disclosed
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-08-21 — — US disclosed
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-08-21 — — 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 (4 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-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus HAVCR2, HCCS, EIF2AK2 POLB 763/4885SMN1; SMN2 4541/4885KCNJ1 4701/4885
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus HAVCR2, HCCS, CYP7A1 POLB 2364/4885SMN1; SMN2 3791/4885KCNJ1 3519/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 POLB 2622/4885SMN1; SMN2 4651/4885KCNJ1 2368/4885
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS NUDT1, PNP, SLC28A1 POLB 67/4885SMN1; SMN2 2775/4885KCNJ1 3570/4885

“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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