SCHEMBL376299

SCHEMBL376299

C=CCN(CC(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
KLK1 P06870 2/20 0.38
PRSS1 P07477 2/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL23540791 0.87 ALDH1A1 (0.36) ALDH1A1HDAC6MAPTCA14DPP4
SCHEMBL18758783 0.85 CA12 (0.43) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL14639322 0.85 HDAC6 (0.35) F2KLK1PRSS1ALDH1A1SMN1; SMN2
SCHEMBL1440925 0.85 ALDH1A1 (0.38) F2KLK1PRSS1ALDH1A1SMN1; SMN2
SCHEMBL1121023 0.84 CA14 (0.36) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL7204430 0.82 CA12 (0.41) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL956549 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HDAC6MAPTCA14
SCHEMBL10246455 0.81 ALDH1A1 (0.36) ALDH1A1HDAC6MAPTCA14DPP4
SCHEMBL12498231 0.81 CA12 (0.40) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL14088913 0.81 CA12 (0.40) ALDH1A1SMN1; SMN2CA12CA1CA2

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
EP-3833672-B1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE SRL (IT) 2024-09-18 EP disclosed
CN-113272309-B Tricyclic inhibitors of hepatitis b virus 圣拉斐尔医院有限公司 2024-02-23 CN disclosed
US-20230076319-A1 INHIBITORS OF HEPATITIS B VIRUS ANTIOS THERAPEUTICS INC (US) 2023-03-09 US disclosed
US-11504382-B2 Tricyclic inhibitors of Hepatitis B virus Antios Therapeutics, Inc. (US) 2022-11-22 US disclosed
US-20220110943-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2022-04-14 US disclosed
CN-113272309-A Tricyclic inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2021-08-17 CN disclosed
EP-3833672-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-06-16 EP disclosed
WO-2020030781-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-02-13 WO disclosed
WO-2020030781-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-02-13 WO disclosed
EP-3608326-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-02-12 EP disclosed
EP-3608326-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-02-12 EP disclosed
US-9598437-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2017-03-21 US disclosed
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 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 (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-11504382-B2 Tricyclic inhibitors of Hepatitis B virus HAVCR2, NR1H4, HCCS F2 1792/4885KLK1 4290/4885PRSS1 1713/4885
US-20220110943-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS HAVCR2, NR1H4, HCCS F2 1792/4885KLK1 4290/4885PRSS1 1713/4885
US-20230076319-A1 INHIBITORS OF HEPATITIS B VIRUS HAVCR2, HDGF, SLC10A1 F2 1144/4885KLK1 3573/4885PRSS1 1827/4885
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB F2 4571/4885KLK1 419/4885PRSS1 951/4885

“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.