SCHEMBL4259575

SCHEMBL4259575

CCCC1=C(C#N)S(=O)(=O)c2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.36
CTSS P25774 4/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYBB P04839 1/20 0.32
NOX3 Q9HBY0 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
DAO P14920 1/20 0.31
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4257284 0.81 MAPT (0.40) ALDH1A1HPGDCA1CA2CYBB
SCHEMBL7931865 0.77 ABCC8 (0.41) CTSKCTSSALDH1A1HPGDKDM4E
SCHEMBL7691027 0.71 NOX1 (0.50) CTSKCTSSALDH1A1HPGDKDM4E
SCHEMBL720597 0.70 MEN1 (0.36) ALDH1A1CA1CA2CYBBNOX3
SCHEMBL721599 0.64 MEN1 (0.38) ALDH1A1HPGDKDM4ECA1CA2
SCHEMBL4264227 0.64 CA1 (0.35) CA1CA2
SCHEMBL721406 0.62 CA1 (0.55) ALDH1A1HPGDCA1CA2CYBB
SCHEMBL7932571 0.62 ABCC8 (0.40) ALDH1A1HPGDKDM4ECA1CA2
SCHEMBL8881146 0.62 GALR3 (0.43) KDM4ECA1CA2CYBBNOX3
SCHEMBL10422692 0.60 PLCG1 (0.54) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232310-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2001-05-15 US claimed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-6232310-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2001-05-15 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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 CTSK 1717/4885CTSS 3173/4885ALDH1A1 1698/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME CTSK 1657/4885CTSS 2016/4885ALDH1A1 2055/4885

“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.