SCHEMBL4040020

SCHEMBL4040020

CCOC(=O)C(CN)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CA1 P00915 2/20 0.48
MMP2 P08253 3/20 0.47
MMP13 P45452 3/20 0.47
MMP1 P03956 1/20 0.47

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
SCHEMBL7835649 1.00 GAA (0.52) GAAKMT2ATDP1ALDH1A1LMNA
SCHEMBL14011605 1.00 GAA (0.52) GAAKMT2ATDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7347096 0.99 GAA (0.51) GAAKMT2ATDP1ALDH1A1LMNA
SCHEMBL11946621 0.89 CA1 (0.46) GAAKMT2ATDP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7346261 0.87 BACE1 (0.48) KMT2ASMN1; SMN2HSD17B10SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7346258 0.87 BACE1 (0.48) KMT2ASMN1; SMN2HSD17B10SLC1A3SLC1A2
SCHEMBL30988968 0.84 GAA (0.55) GAAKMT2ATDP1ALDH1A1LMNA
SCHEMBL28560480 0.84 KMT2A (0.55) GAAKMT2ATDP1ALDH1A1LMNA
SCHEMBL28554116 0.84 GAA (0.55) GAAKMT2ATDP1ALDH1A1LMNA
SCHEMBL7337519 0.84 TDP1 (0.63) TDP1SLC1A3SLC1A2SLC1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
CN-1882560-A Heterocyclic compounds and methods of making and using the same REDDY US THERAPEUTICS INC (US) 2006-12-20 CN disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 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 (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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 GAA 529/4885KMT2A 3813/4885TDP1 2750/4885

“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.