SCHEMBL1196445

SCHEMBL1196445

N#Cc1ccc2cc(OS(=O)(=O)Cc3ccccc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.45
AR P10275 1/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
STS P08842 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL2233407 0.78 TDP1 (0.54) KMT2AHTTMAOBF2PLG
SCHEMBL7837193 0.75 MAOB (0.75) MAPTMAOBARSLC6A2SLC6A4
SCHEMBL1195899 0.75 HSD11B1 (0.45) SLC6A2SLC6A4SLC6A3F2PLG
SCHEMBL1195227 0.74 ALPL (0.48) SLC6A2SLC6A4SLC6A3CA1CA2
Phenyl Phenylmethanesulfonate SCHEMBL6912876 0.73 KMT2A (1.00) KMT2AHTTARF2PRSS1
SCHEMBL6812108 0.72 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3F2PLG
SCHEMBL6100031 0.72 MAOB (0.71) MAPTMAOBARSLC6A2SLC6A4
Phenyl Phenylmethanesulfonate SCHEMBL27917341 0.71 KMT2A (0.96) KMT2AHTTARF2PRSS1
SCHEMBL1196441 0.71 MEN1 (0.62) KMT2AHTTARCA1CA2
SCHEMBL11496986 0.71 KMT2A (0.50) KMT2AHTTARPRSS1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040115-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2011-02-17 US disclosed
EP-1986985-B1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2010-09-01 EP disclosed
EP-1986985-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2008-11-05 EP disclosed
WO-2007063523-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE FINORGA SAS (FR) 2007-06-07 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 (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-20110040115-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF AROMATIC DERIVATIVES OF 1-ADAMANTANE DHPS, APOBEC3A, DDC KMT2A 4560/4885HTT 1269/4885MAPT 2325/4885

“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.