SCHEMBL7865147

SCHEMBL7865147

CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Br)c(C4OCCO4)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TSHR P16473 4/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7863880 0.78 ALDH1A1 (0.53) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL11052251 0.78 ALDH1A1 (0.71) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL7857248 0.76 SMN1; SMN2 (0.57) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL19622195 0.72 MAPT (0.44) LMNATSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL19622313 0.71 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL2532135 0.71 PDE4B (0.61) LMNATSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL21241613 0.69 PDE4B (0.44) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL1474354 0.69 ALDH1A1 (0.75) LMNAHTTALDH1A1SMN1; SMN2ATM
SCHEMBL30826553 0.69 PDE4B (0.44) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL1119892 0.68 NPC1 (0.52) POLBNPC1RAB9AL3MBTL1

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 19 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-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-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-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-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-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-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-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, 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
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 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 (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 LMNA 3610/4885TSHR 4168/4885HTT 4399/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 LMNA 3610/4885TSHR 4168/4885HTT 4399/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 LMNA 3610/4885TSHR 4168/4885HTT 4399/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 LMNA 3610/4885TSHR 4168/4885HTT 4399/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 LMNA 3610/4885TSHR 4168/4885HTT 4399/4885

“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.