SCHEMBL267585

SCHEMBL267585

CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCNCC1)O2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.56
KCNH2 Q12809 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
KDM4E B2RXH2 2/20 0.48
DGAT1 O75907 1/20 0.47
ADRA1A P35348 3/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
ADRA1B P35368 2/20 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
Hydrochloric Acid SCHEMBL261711 0.99 ADRA1D (0.55) ADRA1DKCNH2HDAC3HDAC4HDAC1
SCHEMBL7849142 0.91 ADRA1D (0.56) ADRA1DKCNH2HDAC3HDAC4HDAC1
SCHEMBL8567043 0.86 HDAC3 (0.56) ADRA1DKCNH2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8565586 0.85 HDAC3 (0.55) ADRA1DKCNH2HDAC3HDAC4HDAC1
SCHEMBL8564005 0.85 ADRA1D (0.66) ADRA1DKCNH2HDAC3HDAC4HDAC1
SCHEMBL8913770 0.84 ADRA1D (0.41) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL15178391 0.82 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7797098 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1811484 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL8913128 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2255201-B1 FLUORESCENCE POLARIZATION HERG ASSAY LIFE TECHNOLOGIES CORP (US) 2014-08-06 EP disclosed
US-20120231541-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2012-09-13 US disclosed
US-8133695-B2 Fluorescence polarization hERG assay Life Technologies Corporation (US) 2012-03-13 US disclosed
US-8133695-B2 Fluorescence polarization hERG assay Life Technologies Corporation (US) 2012-03-13 US disclosed
US-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2009-10-08 US disclosed
US-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2009-10-08 US disclosed
WO-2009108905-A2 FLUORESCENCE POLARIZATION HERG ASSAY Life Technologies Corporation (US) 2009-09-03 WO disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5652235-A Method of using spiro piperidines to promote the release of growth hormone MERCK & CO., INC. (US) 1997-07-29 US disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5536716-A Spiro piperidines and homologs which promote release of growth hormone MERCK & CO., INC. (US) 1996-07-16 US disclosed
EP-0615977-A1 Spiro piperidines and homologs which promote release of growth hormone MERCK & CO. INC. (US) 1994-09-21 EP disclosed
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP 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-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY TNNI3, TNNT2, KCNQ1 ADRA1D 593/4885KCNH2 9/4885HDAC3 1683/4885

“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.