SCHEMBL7863564

SCHEMBL7863564

CC(C)CNS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.60
PKM P14618 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.51
HTR6 P50406 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
KAT6A Q92794 1/20 0.49
FBP1 P09467 1/20 0.49

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
SCHEMBL8377902 0.81 PGR (0.56) PGRPKMLMNAMAPTTDP1
SCHEMBL16142812 0.81 ATM (0.56) PGRALDH1A1GAAKMT2AL3MBTL1
SCHEMBL16775760 0.81 ALDH1A1 (0.51) PGRALDH1A1GAAKMT2AMAPT
SCHEMBL5032592 0.81 CYP19A1 (0.60) PKMALDH1A1GAAKMT2ALMNA
SCHEMBL5147475 0.81 PGR (0.56) PGRPKMALDH1A1GAAKMT2A
SCHEMBL13668160 0.80 CA1 (0.75) ALDH1A1GAAKMT2ALMNAMAPT
SCHEMBL21480862 0.79 ALDH1A1 (0.54) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL17843435 0.79 ALDH1A1 (0.50) PGRPKMALDH1A1GAAKMT2A
SCHEMBL674105 0.79 ALDH1A1 (0.66) PKMALDH1A1KMT2ALMNAMAPT
SCHEMBL21477279 0.78 ALDH1A1 (0.53) ALDH1A1GAAKMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PGR 2040/4885PKM 4744/4885ALDH1A1 3761/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PGR 2040/4885PKM 4744/4885ALDH1A1 3761/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PGR 2040/4885PKM 4744/4885ALDH1A1 3761/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PGR 2040/4885PKM 4744/4885ALDH1A1 3761/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PGR 2040/4885PKM 4744/4885ALDH1A1 3761/4885

“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.