SCHEMBL2207722

SCHEMBL2207722

CCC(O)(CC(=O)OC(C)(C)C)c1cc([Si](C)(C)C)nc(OC)c1CO

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 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
SCHEMBL6623394 0.86 SLC13A5 (0.33)
SCHEMBL5862668 0.79 SLC13A5 (0.32) STING1
SCHEMBL3141578 0.69 SLC13A5 (0.33) STING1
SCHEMBL614127 0.65 PDE4A (0.31)
SCHEMBL5859815 0.64 SLC13A5 (0.34)
SCHEMBL2798693 0.64 SLC13A5 (0.42)
SCHEMBL3141597 0.62 JAK2 (0.33) STING1
SCHEMBL6787926 0.58 KDM4E (0.32)
SCHEMBL2210649 0.58 HMGCR (0.35)
SCHEMBL6764302 0.58 HMGCR (0.35)

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 13 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
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
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

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 STING1 754/4885
US-20030088101-A1 E-ring expanded camptothecin derivatives REL, TOP1, RRM1 STING1 1503/4885
US-20090198061-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF TOP2A, TOP2B, ERCC4 STING1 1235/4885
US-20050014775-A1 Camptothecin analogs and methods of preparation thereof NR0B1, NR5A1, REL STING1 2927/4885
US-20120136153-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF TOP2A, TOP2B, ERCC4 STING1 1235/4885
US-20080027224-A1 Camptothecin analogs and methods of preparation thereof NR0B1, HCCS, NR0B2 STING1 1912/4885

“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.