SCHEMBL8529911

SCHEMBL8529911

COc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)o2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2B6 P20813 1/20 0.47
KCNH2 Q12809 1/20 0.47
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
DRD2 P14416 2/20 0.34
BTK Q06187 2/20 0.34
HTR2A P28223 1/20 0.34
NPY2R P49146 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL15126956 0.91 CYP2C9 (0.44) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL23200438 0.90 CYP2C9 (0.55) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL15360309 0.90 CYP2C9 (0.55) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL15257059 0.89 CYP2C9 (0.37) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL15127084 0.88 CYP2C9 (0.53) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL29795067 0.88 CYP2C9 (0.53) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL18474248 0.87 CYP2C9 (0.49) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL23386741 0.87 CYP2C9 (0.57) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL24777445 0.87 CYP2C9 (0.52) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL20622309 0.87 CYP2C9 (0.52) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2024-01-02 US disclosed
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2024-01-02 US disclosed
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus YALE UNIVERSITY (US) 2021-10-05 US disclosed
US-20200392121-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-17 US disclosed
US-10703743-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2020-07-07 US disclosed
US-20190002447-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-03 US disclosed
US-10030008-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2018-07-24 US disclosed
US-10030008-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2018-07-24 US disclosed
US-20170096415-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2017-04-06 US disclosed
US-20170096415-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2017-04-06 US disclosed
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 US disclosed
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 US disclosed
US-20130245040-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-19 US disclosed
US-20130245040-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-19 US disclosed
WO-2012068366-A9 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS YALE UNIVERSITY (US) 2013-07-18 WO disclosed
WO-2012068366-A2 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS YALE UNIVERSITY (US) 2012-05-24 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 (8 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-10703743-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885
US-20190002447-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885
US-20200392121-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885
US-10030008-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885
US-20170096415-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885
US-20130245040-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 CYP2C9 4606/4885CYP3A4 3032/4885CYP2D6 2810/4885

“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.