SCHEMBL140943

SCHEMBL140943

Cc1ccc(S(=O)(=O)OCP(C)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.43
MMP2 P08253 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL140930 0.88 MMP2 (0.47) STAT3MMP2CA12CA9CA14
SCHEMBL5134686 0.86 ENPP2 (0.42) KMT2A
SCHEMBL23703227 0.86 GAA (0.43) STAT3CA12CA9GAAKMT2A
SCHEMBL14390991 0.83 STAT3 (0.42) STAT3MMP2CA12CA9CA14
Butane SCHEMBL15941687 0.83 MMP2 (0.44) STAT3MMP2CA12CA9CA14
SCHEMBL4206461 0.81 STAT3 (0.40) STAT3MMP2CA12CA9CA14
SCHEMBL140173 0.81 GAA (0.42) STAT3CA12CA9GAAKMT2A
SCHEMBL13010448 0.80 ALDH1A1 (0.40) STAT3CA12CA9GAAKMT2A
SCHEMBL8622516 0.80 MMP2 (0.41) STAT3MMP2CA12CA9CA14
SCHEMBL8871679 0.79 STAT3 (0.43) STAT3CA12CA9GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029451-A1 BRANCHED CHAIN ACYCLIC NUCLEOSIDE PHOSPHONATE ESTERS AND METHODS OF SYNTHESIS AND USES THEREOF CHIMERIX, INC. 2017-02-02 US disclosed
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2012-03-08 US disclosed
US-20100081634-A1 Novel Phosphorus-Containing Thyromimetics METABASIS THERAPEUTICS, INC. (US) 2010-04-01 US disclosed
US-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics METABASIS THERAPEUTICS, INC. 2009-01-29 US disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 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 (5 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-20100081634-A1 Novel Phosphorus-Containing Thyromimetics PYGL, THRA, THOP1 STAT3 914/4885MMP2 1839/4885CA12 1252/4885
US-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 STAT3 914/4885MMP2 1839/4885CA12 1252/4885
US-20170029451-A1 BRANCHED CHAIN ACYCLIC NUCLEOSIDE PHOSPHONATE ESTERS AND METHODS OF SYNTHESIS AND USES THEREOF POLN, PC, TYMP STAT3 3410/4885MMP2 3581/4885CA12 1337/4885
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP STAT3 3774/4885MMP2 3084/4885CA12 1841/4885
US-20090028925-A1 Novel Phosphinic Acid-Containing Thyromimetics PYGL, PHOSPHO1, LIPE STAT3 1029/4885MMP2 2143/4885CA12 1503/4885

“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.