SCHEMBL2527735

SCHEMBL2527735

CC(C)CNS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 1/20 0.47
PGR P06401 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NR3C1 P04150 1/20 0.45
ITGAV P06756 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL15352816 0.81 PKM (0.49) ATMALDH1A1L3MBTL1ITGAVSLC1A3
SCHEMBL8377905 0.80 ALDH1A1 (0.50) TSHRKMT2AMEN1ALDH1A1PGR
SCHEMBL6755655 0.80 ATM (0.58) ATMTSHRKMT2AMEN1ALDH1A1
SCHEMBL9229798 0.79 ALDH1A1 (0.46) ATMTSHRKMT2AMEN1ALDH1A1
SCHEMBL15621005 0.79 GBA1 (0.63) ATMKMT2AMEN1ALDH1A1
SCHEMBL2227866 0.79 RECQL (0.56) ATMALDH1A1
SCHEMBL9850210 0.77 CA12 (0.59) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL31592624 0.77 ALDH1A1 (0.46) TSHRKMT2AMEN1ALDH1A1PGR
SCHEMBL10570781 0.77 ALDH1A1 (0.44) ATMTSHRKMT2AMEN1ALDH1A1
SCHEMBL21465864 0.77 CA12 (0.52) ATMTSHRKMT2AMEN1ALDH1A1

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 14 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-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8039493-B2 Biaryl sulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
EP-2205556-A2 BIARYL SULFONAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
WO-2009040289-A2 BIARYL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed
US-20090088459-A1 NOVEL BIARYL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (6 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 ATM 3670/4885TSHR 4168/4885KMT2A 4579/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ATM 3670/4885TSHR 4168/4885KMT2A 4579/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ATM 3670/4885TSHR 4168/4885KMT2A 4579/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ATM 3670/4885TSHR 4168/4885KMT2A 4579/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 ATM 3670/4885TSHR 4168/4885KMT2A 4579/4885
US-20090088459-A1 NOVEL BIARYL SULFONAMIDE DERIVATIVES NR1H3, NR1H2, NR1H4 ATM 3054/4885TSHR 279/4885KMT2A 1482/4885

“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.