SCHEMBL2210649

SCHEMBL2210649

CCC(=O)c1cc([Si](C)(C)C)nc(OC)c1COC=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.35
HSP90AB1 P08238 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6764302 0.82 HMGCR (0.35) HMGCRHSP90AB1L3MBTL1
SCHEMBL6762080 0.81 HMGCR (0.33) HMGCR
SCHEMBL6757347 0.69
SCHEMBL6762153 0.68
SCHEMBL6762156 0.68
SCHEMBL6760859 0.67
SCHEMBL23136619 0.62 HMGCR (0.36) HMGCR
SCHEMBL614127 0.61 PDE4A (0.31)
SCHEMBL10261769 0.61 SRC (0.39) HSP90AB1L3MBTL1
SCHEMBL6762154 0.61 NPSR1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136153-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-05-31 US disclosed
US-7982041-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-07-19 US disclosed
US-20090198061-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-7538220-B2 Intermediates in the preparation of homocamptothecin analogs UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-26 US disclosed
EP-1173180-B1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2008-06-25 EP disclosed
US-20080027224-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-31 US disclosed
US-7220860-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH (US) 2007-05-22 US disclosed
US-20050014775-A1 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2005-01-20 US disclosed
EP-1173180-A4 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2004-12-01 EP disclosed
US-6809103-B2 E-RING EXPANDED CAMPTOTHECIN DERIVATIVES UNIVERSITY OF PITTSBURGH 2004-10-26 US disclosed
US-20030088101-A1 E-ring expanded camptothecin derivatives UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-05-08 US disclosed
US-6410731-B2 ENHANCED LIPOPHILICITY, BIOAVAILABILITY; MADE VIA A CASCADE RADICAL 4+1 ANNULATION INCLUDING REACTING A PRECURSOR WITH AN ARYLISONITRILE UNIVERSITY OF PITTSBURGH 2002-06-25 US disclosed
EP-1173180-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2002-01-23 EP disclosed
WO-2000061146-A9 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2002-01-03 WO disclosed
US-20010003779-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-06-14 US disclosed
US-6207832-B1 ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH 2001-03-27 US disclosed
WO-2000061146-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2000-10-19 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 (6 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-20010003779-A1 Camptothecin analogs and methods of preparation thereof TOP1, CBR1, TOP2B HMGCR 121/4885HSP90AB1 1359/4885L3MBTL1 2335/4885
US-20030088101-A1 E-ring expanded camptothecin derivatives REL, TOP1, RRM1 HMGCR 199/4885HSP90AB1 2668/4885L3MBTL1 1670/4885
US-20090198061-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF TOP2A, TOP2B, ERCC4 HMGCR 397/4885HSP90AB1 1437/4885L3MBTL1 4057/4885
US-20050014775-A1 Camptothecin analogs and methods of preparation thereof NR0B1, NR5A1, REL HMGCR 268/4885HSP90AB1 1795/4885L3MBTL1 2907/4885
US-20120136153-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF TOP2A, TOP2B, ERCC4 HMGCR 397/4885HSP90AB1 1437/4885L3MBTL1 4057/4885
US-20080027224-A1 Camptothecin analogs and methods of preparation thereof NR0B1, HCCS, NR0B2 HMGCR 495/4885HSP90AB1 2179/4885L3MBTL1 3240/4885

“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.