SCHEMBL12995347

SCHEMBL12995347

N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
SGK1 O00141 2/20 0.35
MAP2K4 P45985 2/20 0.34
ALDH2 P05091 1/20 0.33
PRKAA2 P54646 1/20 0.33
S1PR3 Q99500 1/20 0.32
PFKFB2 O60825 1/20 0.32
PFKFB1 P16118 1/20 0.32
PFKFB3 Q16875 1/20 0.32
CHEK1 O14757 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TBK1 Q9UHD2 4/20 0.32
PDE1C Q14123 1/20 0.31
PDE9A O76083 1/20 0.31
OPRK1 P41145 1/20 0.31
BCL6 P41182 1/20 0.31
GRM2 Q14416 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
SCHEMBL13214938 0.88 SGK1 (0.41) SGK1MAP2K4ALDH2S1PR3OPRK1
SCHEMBL10096270 0.87 NSD2 (0.38) NSD2DOT1LAS3MTSGK1MAP2K4
SCHEMBL12995350 0.86 SGK1 (0.36) SGK1MAP2K4ALDH2PRKAA2CHEK1
SCHEMBL10096335 0.85 SGK1 (0.37) NSD2DOT1LAS3MTSGK1MAP2K4
SCHEMBL10095829 0.85 NSD2 (0.38) NSD2DOT1LAS3MTSGK1MAP2K4
SCHEMBL12106169 0.84 CTPS1 (0.39) NSD2DOT1LAS3MTSGK1MAP2K4
SCHEMBL12995302 0.84 SGK1 (0.35) SGK1MAP2K4ALDH2PRKAA2CHEK1
SCHEMBL10096189 0.84 CNR2 (0.40) NSD2DOT1LAS3MTSGK1MAP2K4
SCHEMBL12106641 0.84 NSD2 (0.35) NSD2DOT1LAS3MTSGK1MAP2K4
SCHEMBL12995910 0.83 BRD4 (0.39) SGK1UCHL1USP30TBK1

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
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-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

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 NSD2 3223/4885DOT1L 3677/4885AS3MT 2625/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NSD2 3223/4885DOT1L 3677/4885AS3MT 2625/4885

“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.