SCHEMBL265244

SCHEMBL265244

C/C=C/C(=O)NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL22190202 0.82 FNTA (0.33) ALDH1A1TP53L3MBTL1
SCHEMBL27357275 0.82 FNTA (0.33) ALDH1A1TP53L3MBTL1
SCHEMBL20683584 0.80 CA2 (0.35) CA2
SCHEMBL1385033 0.79
SCHEMBL19540738 0.78 CA12 (0.39) CA2ALDH1A1TP53L3MBTL1
SCHEMBL13220253 0.75 PPARA (0.31) CA2
SCHEMBL13241230 0.75 TAS1R3 (0.40) CA2ALDH1A1
SCHEMBL20846989 0.73 CA2 (0.33) CA2
SCHEMBL5197727 0.72
SCHEMBL11706114 0.69 ALDH1A1 (0.35) ALDH1A1TP53L3MBTL1

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-20190106414-A1 SUBSTITUTED-INDOLE-COMPOUNDS AS ESTROGEN RECEPTOR DOWN-REGULATORS Luoxin Healthcare Science and Technology Development (Beijing) Ltd. (CN) 2019-04-11 US disclosed
EP-3434668-A1 INDOLO-SUBSTITUTED-PIPERIDINE COMPOUNDS AS ESTROGEN RECEPTOR DEGRADING AGENT Luoxin Biotechnology (Shanghai) Co., Ltd. (CN) 2019-01-30 EP disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2008022164-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (4 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 CA2 1044/4885ALDH1A1 1934/4885TP53 2980/4885
US-20190106414-A1 SUBSTITUTED-INDOLE-COMPOUNDS AS ESTROGEN RECEPTOR DOWN-REGULATORS ESR2, ESR1, GPER1 CA2 4561/4885ALDH1A1 1922/4885TP53 349/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 CA2 595/4885ALDH1A1 2376/4885TP53 3598/4885
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION CDK2, PIM1, CCNK CA2 2565/4885ALDH1A1 3122/4885TP53 592/4885

“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.