SCHEMBL12995704

SCHEMBL12995704

CCSc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.34
NR1I3 Q14994 5/20 0.33
PFKFB2 O60825 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33
HPGD P15428 3/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CYP11B2 P19099 1/20 0.31
ALOX15 P16050 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL2885024 0.95 SIRT2 (0.33) SIRT2PFKFB2PFKFB1PFKFB3HPGD
SCHEMBL2885026 0.95 SIRT2 (0.33) SIRT2PFKFB2PFKFB1PFKFB3HPGD
SCHEMBL13051954 0.88 NR1I3 (0.34) NR1I3HPGDNPC1CYP1A2CYP2D6
SCHEMBL10096262 0.87 MEN1 (0.38) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL12994898 0.87 PDE1C (0.30)
SCHEMBL12107246 0.87 RORC (0.37) SIRT2NR1I3HPGDNPC1CYP1A2
SCHEMBL983202 0.87 HPGD (0.35) SIRT2NR1I3HPGDNPC1CYP1A2
SCHEMBL10096724 0.86 ALDH1A1 (0.35) HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL981985 0.86 SMN1; SMN2 (0.47) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL12994895 0.86 CYP1A2 (0.33) CYP1A2KDM4EALDH1A1

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 3 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-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

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SIRT2 2394/4885NR1I3 449/4885PFKFB2 4493/4885

“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.