SCHEMBL2111996

SCHEMBL2111996

CN(C)S(=O)(=O)c1ccc(I)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP2C19 P33261 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL11649718 0.79 SERPINE1 (0.56) VCAM1SMN1; SMN2HTTLMNATP53
SCHEMBL709850 0.79 LMNA (0.50) SMN1; SMN2LMNAGAANPC1ALDH1A1
SCHEMBL30783237 0.78 MAPT (0.60) VCAM1SMN1; SMN2HTTLMNATP53
SCHEMBL2066242 0.78 VCAM1 (0.54) VCAM1SMN1; SMN2HTTLMNATP53
SCHEMBL23057070 0.78 ALDH1A1 (0.54) VCAM1SMN1; SMN2HTTLMNANPC1
SCHEMBL23203435 0.78 MAPT (0.60) VCAM1SMN1; SMN2HTTLMNATP53
SCHEMBL11039125 0.78 CA12 (0.61) VCAM1SMN1; SMN2HTTLMNATP53
SCHEMBL13612757 0.76 CA1 (0.41) ALDH1A1
SCHEMBL23057074 0.76 VCAM1 (0.60) VCAM1SMN1; SMN2HTTLMNANPC1
SCHEMBL20488975 0.75 VCAM1 (0.51) VCAM1SMN1; SMN2HTTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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 (2 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 VCAM1 2066/4885SMN1; SMN2 3772/4885HTT 931/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 VCAM1 2066/4885SMN1; SMN2 3772/4885HTT 931/4885

“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.