SCHEMBL1646602

SCHEMBL1646602

CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.52
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
HIF1A Q16665 5/20 0.47
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
DGAT1 O75907 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
USP30 Q70CQ3 1/20 0.39
HPGD P15428 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37

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
SCHEMBL15882115 0.95 AAK1 (0.48) AAK1PRMT5WDR77HIF1AKCNQ4
SCHEMBL30931999 0.90 AAK1 (0.50) AAK1PRMT5WDR77HIF1AKCNQ4
SCHEMBL65546 0.90 AAK1 (0.53) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL16156534 0.89 PRMT5 (0.50) AAK1PRMT5WDR77HIF1AKCNQ4
SCHEMBL65795 0.89 AAK1 (0.49) AAK1PRMT5WDR77HIF1AKCNQ4
SCHEMBL3763011 0.89 AAK1 (0.49) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL4822133 0.89 AAK1 (0.59) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL2073035 0.88 AAK1 (0.53) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL15184583 0.88 AAK1 (0.51) AAK1PRMT5WDR77HIF1AKCNQ4
SCHEMBL65967 0.88 AAK1 (0.51) AAK1PRMT5WDR77HIF1ADGAT1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180055824-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-20180055824-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9833440-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9833440-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
EP-3059241-B1 INTERMEDIATES IN THE PREPARATION OF A BIS(BENZIMIDAZOLE)CYCLOPHANE DERIVATIVE ACHILLION PHARMACEUTICALS INC (US) 2017-11-01 EP disclosed
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2017-06-08 US disclosed
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2017-06-08 US disclosed
US-9592222-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-9592222-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-20170007579-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2017-01-12 US disclosed
WO-2012166716-A2 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2012-12-06 WO disclosed
US-20120302538-A1 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC (US) 2012-11-29 US disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed
EP-2124563-A1 BENZIMIDAZOLE TRPV1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 AAK1 2021/4885PRMT5 4468/4885WDR77 3461/4885
US-20180055824-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR AAK1 2002/4885PRMT5 2553/4885WDR77 4226/4885
US-20120302538-A1 SUBSITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR AAK1 1994/4885PRMT5 2609/4885WDR77 4403/4885
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR AAK1 2110/4885PRMT5 2673/4885WDR77 4257/4885
US-20170007579-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR AAK1 2002/4885PRMT5 2553/4885WDR77 4226/4885

“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.