SCHEMBL2283294

SCHEMBL2283294

Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.60
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
PKM P14618 7/20 0.51
DPP4 P27487 1/20 0.50
HTT P42858 1/20 0.48
BRD4 O60885 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2229992 0.87 HTR2C (0.61) CA1CA2CA9CA12HDAC3
SCHEMBL15711291 0.81 CA12 (0.70) CA1CA2CA9CA12HDAC3
SCHEMBL6985107 0.80 LMNA (0.67) CA1CA2CA9CA12PKM
SCHEMBL6982218 0.80 PKM (0.56) CA1CA2CA9CA12PKM
SCHEMBL6986758 0.80 PKM (0.56) CA1CA2CA9CA12PKM
SCHEMBL6985319 0.80 CA12 (0.53) CA1CA2CA9CA12HDAC3
SCHEMBL6976538 0.79 PKM (0.65) CA1CA2CA9CA12PKM
SCHEMBL6984820 0.79 HTR6 (0.61) CA1CA2CA9CA12PKM
SCHEMBL15907913 0.78 CA12 (0.66) CA1CA2CA9CA12HDAC3
SCHEMBL31681377 0.78 EIF2AK2 (0.54) CA1CA2CA9CA12PKM

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
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US claimed
US-20140213632-A1 HCV Combination Therapy STELLA APS (DK) 2014-07-31 US disclosed
US-20140127159-A1 HCV Combination Therapy STELLA APS (DK) 2014-05-08 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 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 (3 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-20140127159-A1 HCV Combination Therapy HAVCR2, EIF2AK2, TIMP3 CA1 4596/4885CA2 3993/4885CA9 4213/4885
US-20140213632-A1 HCV Combination Therapy HAVCR2, EIF2AK2, ZC3HAV1 CA1 4830/4885CA2 4519/4885CA9 4706/4885
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 CA1 4552/4885CA2 4603/4885CA9 4755/4885

“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.