SCHEMBL4019035

SCHEMBL4019035

N#Cc1cccc(S(=O)(=O)NCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.65
KEAP1 Q14145 1/20 0.63
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.54
SLC12A2 P55011 1/20 0.54
SLC12A5 Q9H2X9 1/20 0.54
PGR P06401 1/20 0.53
NAMPT P43490 1/20 0.52
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 2/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL28685963 0.87 CYP19A1 (0.68) CYP19A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL7596818 0.86 CYP19A1 (0.57) CYP19A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL7972389 0.85 CYP19A1 (0.56) CYP19A1KEAP1HTTLMNAPGR
SCHEMBL7989727 0.84 CYP19A1 (0.55) CYP19A1KEAP1HTTLMNAPGR
SCHEMBL7973407 0.84 CYP19A1 (0.55) CYP19A1KEAP1HTTLMNAPGR
SCHEMBL15606127 0.83 CYP19A1 (0.65) CYP19A1KEAP1HDAC2HDAC8HDAC6
SCHEMBL120014 0.83 CYP19A1 (0.84) CYP19A1KEAP1LMNASLC12A2SLC12A5
SCHEMBL4662881 0.83 CYP19A1 (0.84) CYP19A1KEAP1LMNANAMPTCA12
SCHEMBL7982844 0.83 CYP19A1 (0.53) CYP19A1KEAP1HTTLMNAPGR
SCHEMBL7972170 0.83 CYP19A1 (0.53) CYP19A1KEAP1HTTLMNAPGR

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-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 US disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
EP-1577292-A1 Phenylaminoethanol derivatives as beta2 receptor agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US 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-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 CYP19A1 510/4885KEAP1 342/4885HDAC2 1116/4885
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C CYP19A1 1149/4885KEAP1 1079/4885HDAC2 969/4885

“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.