SCHEMBL14645482

SCHEMBL14645482

N=C(NO)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS6 Q8IU80 2/20 0.69
CA12 O43570 4/20 0.62
CA9 Q16790 4/20 0.62
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 2/20 0.61
PKM P14618 2/20 0.61
IL1RN P18510 1/20 0.59
KEAP1 Q14145 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.56
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55

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
SCHEMBL8176346 0.82 TMPRSS6 (1.00) TMPRSS6CA12CA9KMT2AMEN1
SCHEMBL3715141 0.80 CA12 (0.75) TMPRSS6CA12CA9KMT2AMEN1
SCHEMBL16592568 0.79 TSHR (0.60) KMT2AMEN1ALDH1A1PKMHDAC6
SCHEMBL14645759 0.79 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1KEAP1
SCHEMBL17913100 0.77 CA12 (1.00) TMPRSS6CA12CA9KMT2AMEN1
SCHEMBL5452240 0.77 TMPRSS6 (0.73) TMPRSS6CA12CA9KMT2AMEN1
SCHEMBL9001182 0.77 KMT2A (1.00) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL25031372 0.76 KEAP1 (1.00) CA12CA9KMT2AMEN1ALDH1A1
Phenyl(Phenylsulfonyl)Amine SCHEMBL114765 0.76 KEAP1 (1.00) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL3552882 0.76 SMN1; SMN2 (0.52) TMPRSS6CA12CA9ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729454-B1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2015-09-16 EP disclosed
US-9056843-B2 Trifluoromethyl-oxadiazole derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-06-16 US disclosed
US-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-05-22 US disclosed
EP-2729454-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2014-05-14 EP disclosed
WO-2013008162-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2013-01-17 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-20140142105-A1 NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE HDAC4, HDAC5, HDAC6 TMPRSS6 3830/4885CA12 4213/4885CA9 3528/4885

“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.