SCHEMBL617823

SCHEMBL617823

Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.51
FFAR4 Q5NUL3 2/20 0.50
TRPV4 Q9HBA0 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PLA2G7 Q13093 1/20 0.46
FFAR1 O14842 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
CCNA1 P78396 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL7587888 0.84 KEAP1 (0.54) FFAR4KEAP1NFE2L2KMT2AGAA
SCHEMBL6554639 0.81 KEAP1 (0.51) FFAR4KEAP1NFE2L2KMT2AGAA
SCHEMBL6831807 0.80 MAPT (0.54) SLC22A12KEAP1NFE2L2KMT2AGAA
SCHEMBL13885735 0.80 CYTH2 (0.56) FFAR4KEAP1NFE2L2FFAR1CDK1
SCHEMBL10238213 0.79 KEAP1 (0.49) KEAP1NFE2L2KMT2AGAAALDH1A1
SCHEMBL23200283 0.77 METAP2 (0.67) HTT
SCHEMBL6554533 0.77 MAPT (0.60) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL620221 0.77 FFAR4 (0.53) FFAR4KEAP1NFE2L2FFAR1CDK1
SCHEMBL10232897 0.77 FFAR4 (0.50) FFAR4KEAP1NFE2L2FFAR1CDK1
SCHEMBL6553589 0.77 MAPT (0.60) KEAP1NFE2L2KMT2AMEN1ALDH1A1

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-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 SLC22A12 1753/4885FFAR4 424/4885TRPV4 564/4885

“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.