SCHEMBL2885024

SCHEMBL2885024

CCSc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.33
PFKFB2 O60825 2/20 0.32
PFKFB1 P16118 2/20 0.32
PFKFB3 Q16875 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP11B2 P19099 1/20 0.31
ACACB O00763 1/20 0.30
PDE7A Q13946 1/20 0.30
DHODH Q02127 1/20 0.30
CDK2 P24941 1/20 0.30
PTGS2 P35354 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
SCHEMBL2885026 1.00 SIRT2 (0.33) SIRT2PFKFB2PFKFB1PFKFB3KDM4E
SCHEMBL12995704 0.95 SIRT2 (0.34) SIRT2PFKFB2PFKFB1PFKFB3KDM4E
SCHEMBL13053221 0.88 MEN1 (0.32) ALDH1A1MEN1MAPTKMT2AACACB
SCHEMBL980883 0.87 MEN1 (0.37) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL12104514 0.87 MEN1 (0.37) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL12107267 0.87 RORC (0.36) PFKFB2PFKFB1PFKFB3KDM4EALDH1A1
SCHEMBL979578 0.87 HTR3A (0.33) PFKFB2PFKFB1PFKFB3KDM4EALDH1A1
SCHEMBL1298946 0.87 HTR3A (0.33) PFKFB2PFKFB1PFKFB3KDM4EALDH1A1
SCHEMBL12995118 0.86 CYP1A2 (0.31) KDM4EALDH1A1MEN1KMT2A
SCHEMBL12105794 0.86 MEN1 (0.39) ALDH1A1HPGDMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS SIRT2 2394/4885PFKFB2 4493/4885PFKFB1 4524/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SIRT2 2394/4885PFKFB2 4493/4885PFKFB1 4524/4885

“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.