SCHEMBL709019

SCHEMBL709019

CC(=O)SCCCC1CCC(CCCSC(C)=O)C(CCCSC(C)=O)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
ALOX5 P09917 1/20 0.30
TLR4 O00206 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
SCHEMBL709345 0.94 ALOX5 (0.35) CYP2C19POLBBLMATMALOX5
SCHEMBL14856825 0.92 CYP2C19 (0.30) CYP2C19
SCHEMBL14856877 0.87 ALOX5 (0.31) ALOX5
SCHEMBL709973 0.86 CYP2C19 (0.34) CYP2C19POLBBLMATM
SCHEMBL712765 0.86 CYP2C19 (0.34) CYP2C19POLBBLMATM
SCHEMBL711396 0.86 CYP2C19 (0.34) CYP2C19POLBBLMATM
SCHEMBL13370527 0.80 CYP2C19 (0.30) CYP2C19
SCHEMBL3761489 0.79 CYP2C19 (0.32) CYP2C19POLBBLMATM
SCHEMBL14856846 0.79 CYP2C19 (0.32) CYP2C19POLBBLMATM
SCHEMBL14856880 0.79 CYP2C19 (0.32) CYP2C19POLBBLMATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342274-B1 SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2013-04-17 EP claimed
US-8124206-B2 Sulfur-containing cycloaliphatic compound, filled sulfur-vulcanizable elastomer composition containing sulfur-containing cycloaliphatic compound and articles fabricated therefrom MOMENTIVE PERFORMANCE MATERIALS, INC. (US) 2012-02-28 US claimed
EP-2342274-A1 SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM Momentive Performance Materials Inc. (US) 2011-07-13 EP claimed
WO-2010059402-A1 SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-05-27 WO claimed
US-20100112259-A1 Sulfur-containing cycloaliphatic compound, filled sulfur-vulcanizable elastomer composition containing sulfur-containing cycloaliphatic compound and articles fabricated therefrom MOMENTIVE PERFORMANCE MATERIALS INC. 2010-05-06 US claimed
US-8846170-B2 Sulfur-containing cycloaliphatic compound, filled sulfur-vulcanizable elastomer composition containing sulfur-containing cycloaliphatic compound and articles fabricated therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2014-09-30 US disclosed
EP-2342274-B1 SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2013-04-17 EP disclosed
US-20120116002-A1 SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM MOMENTIVE PERFORMANCE MATERICALS INC. (US) 2012-05-10 US disclosed
US-8124206-B2 Sulfur-containing cycloaliphatic compound, filled sulfur-vulcanizable elastomer composition containing sulfur-containing cycloaliphatic compound and articles fabricated therefrom MOMENTIVE PERFORMANCE MATERIALS, INC. (US) 2012-02-28 US disclosed
EP-2342274-A1 SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM Momentive Performance Materials Inc. (US) 2011-07-13 EP disclosed
WO-2010059402-A1 SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-05-27 WO disclosed
US-20100112259-A1 Sulfur-containing cycloaliphatic compound, filled sulfur-vulcanizable elastomer composition containing sulfur-containing cycloaliphatic compound and articles fabricated therefrom MOMENTIVE PERFORMANCE MATERIALS INC. 2010-05-06 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 (1 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-20100112259-A1 Sulfur-containing cycloaliphatic compound, filled sulfur-vulcanizable elastomer composition containing sulfur-containing cycloaliphatic compound and articles fabricated therefrom CRHR2, CRH, CRHR1 CYP2C19 2379/4885POLB 2531/4885BLM 1699/4885

“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.