SCHEMBL2229992

SCHEMBL2229992

O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCCN2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.61
HTR2B P41595 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
BRD4 O60885 1/20 0.54
PKM P14618 12/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
DPP4 P27487 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
SCHEMBL2283294 0.87 CA1 (0.60) HTR2CHTR2BCA12CA1CA2
SCHEMBL6984820 0.86 HTR6 (0.61) CA12CA1CA2CA9BRD4
SCHEMBL31681377 0.85 EIF2AK2 (0.54) HTR2CCA12CA1CA2CA9
SCHEMBL6976538 0.84 PKM (0.65) HTR2CCA12CA1CA2CA9
SCHEMBL15711291 0.80 CA12 (0.70) CA12CA1CA2CA9PKM
SCHEMBL15907913 0.80 CA12 (0.66) CA12CA1CA2CA9PKM
SCHEMBL23555246 0.80 HTR2C (0.76) HTR2CHTR2BCA12CA1CA2
SCHEMBL7855532 0.80 HTR2C (0.76) HTR2CHTR2BPKMDPP4MEN1
SCHEMBL6986758 0.79 PKM (0.56) CA12CA1CA2CA9BRD4
SCHEMBL6985319 0.79 CA12 (0.53) CA12CA1CA2CA9PKM

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 8 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
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO 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 HTR2C 1853/4885HTR2B 2493/4885CA12 2970/4885
US-20140213632-A1 HCV Combination Therapy HAVCR2, EIF2AK2, ZC3HAV1 HTR2C 3738/4885HTR2B 4325/4885CA12 4102/4885
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 HTR2C 4063/4885HTR2B 4170/4885CA12 3663/4885

“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.