SCHEMBL499027

SCHEMBL499027

CCOC(=O)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 2/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL14822004 0.90 CYP1A2 (0.44) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL31462534 0.87 GAA (0.41) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL5655019 0.87 HDAC1 (0.44) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL21423523 0.85 MEN1 (0.35) HDAC6HDAC1HDAC2MEN1KMT2A
SCHEMBL9354292 0.85 GAA (0.54) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL22303932 0.84 NFKB1 (0.43) CA12CA1CA2CA9HDAC6
SCHEMBL6018881 0.82 ALDH1A1 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL6018889 0.82 ALDH1A1 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL5884651 0.82 MEN1 (0.52) CA12CA1CA2HDAC6HDAC1
SCHEMBL28315095 0.82 HDAC6 (0.37) CA12CA1CA2HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122662-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 WO disclosed
EP-3478683-B1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-07-21 EP disclosed
CN-109641896-A DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS 诺维拉治疗公司 2019-04-16 CN disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
US-6977262-B2 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-12-20 US disclosed
CN-1675209-A Dihydropyrazolopyridine compounds MITSUBISHI PHARMA CORP (JP) 2005-09-28 CN disclosed
EP-1537106-A1 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2005-06-08 EP disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 US disclosed
WO-2004014910-A1 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS MITSUBISHI PHARMA CORPORATION (JP) 2004-02-19 WO 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 (3 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP SMN1; SMN2 3254/4885CA12 932/4885CA1 423/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885CA12 4630/4885CA1 4422/4885
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof GSK3B, GSK3A, PYGB SMN1; SMN2 1242/4885CA12 2846/4885CA1 1095/4885

“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.