SCHEMBL646068

SCHEMBL646068

CC(C)[Si](OCC(=O)O)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31

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
SCHEMBL2266563 0.82
SCHEMBL646847 0.78
SCHEMBL30954536 0.76 GABRP (0.38) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL7609791 0.76 TSHR (0.40) TSHR
SCHEMBL4705904 0.73 CTSD (0.37) ALDH1A1
SCHEMBL2675755 0.73
SCHEMBL5699118 0.72 HSD17B10 (0.30) TDP1
SCHEMBL854379 0.71 GABRR1 (0.38) CYP1A2
SCHEMBL17237464 0.70 TSHR (0.41) TSHRCTHCBSTHPOTHRB
SCHEMBL730082 0.70 TSHR (0.41) TSHRCTHCBSTHPOTHRB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867789-B Preparation method of irinotecan derivative and intermediate thereof 上海复旦张江生物医药股份有限公司 2025-06-24 CN disclosed
CN-116867789-A Preparation method of irinotecan derivative and intermediate thereof 上海复旦张江生物医药股份有限公司 2023-10-10 CN disclosed
US-11345691-B2 Prodrug modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use AbbVie Global Enterprises Ltd. (BM) 2022-05-31 US disclosed
EP-3747882-A1 PRODRUG MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-12-09 EP disclosed
US-20200377491-A1 Prodrug Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use GALAPAGOS NV (BE) 2020-12-03 US disclosed
EP-3464282-B1 HETEROARYL SUBSTITUTED PYRIDINES AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2020-04-22 EP disclosed
US-10604515-B2 Heteroaryl substituted pyridines and methods of use ABBVIE S.Á.R.L. (LU) 2020-03-31 US disclosed
US-20190055229-A1 Heteroaryl Substituted Pyridines and Methods of Use ABBVIE S.Á.R.L. (LU) 2019-02-21 US disclosed
US-10138227-B2 Heteroaryl substituted pyridines and methods of use ABBVIE S.Á.R.L. (LU) 2018-11-27 US disclosed
US-20170349576-A1 HETEROARYL SUBSTITUTED PYRIDINES AND METHODS OF USE ABBVIE S.Á.R.L. (LU) 2017-12-07 US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 US disclosed
US-6096909-A Taxoid anti-tumor agents and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-08-01 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
US-5705508-A FORMING TAXOL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-06 US disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US disclosed
EP-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP disclosed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP disclosed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US disclosed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 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-11345691-B2 Prodrug modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A2, SLC47A1 TSHR 2273/4885CTH 257/4885CBS 455/4885
US-20170349576-A1 HETEROARYL SUBSTITUTED PYRIDINES AND METHODS OF USE CFTR, P2RX2, P2RX1 TSHR 2256/4885CTH 551/4885CBS 349/4885
US-10604515-B2 Heteroaryl substituted pyridines and methods of use CFTR, P2RX2, P2RX1 TSHR 2256/4885CTH 551/4885CBS 349/4885
US-20190055229-A1 Heteroaryl Substituted Pyridines and Methods of Use CFTR, P2RX2, P2RX1 TSHR 2256/4885CTH 551/4885CBS 349/4885
US-20200377491-A1 Prodrug Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A2, SLC47A1 TSHR 2273/4885CTH 257/4885CBS 455/4885
US-10138227-B2 Heteroaryl substituted pyridines and methods of use CFTR, P2RX2, P2RX1 TSHR 2256/4885CTH 551/4885CBS 349/4885

“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.